Organoheterocyclic compounds

Organoheterocyclic compounds

























































































































Risultati della ricerca filtrata

Caffeine, 99.7%, Thermo Scientific Chemicals
CAS: 58-08-2 Formula molecolare: C8H10N4O2 Molecular Weight (g/mol): 194.19 Numero MDL: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Sinonimo: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Sinonimo | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
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Numero MDL | MFCD00005758 |
PubChem CID | 2519 |
Formula molecolare | C8H10N4O2 |
CAS | 58-08-2 |
Molecular Weight (g/mol) | 194.19 |
ChEBI | CHEBI:27732 |
SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
IUPAC Name | 1,3,7-trimethylpurine-2,6-dione |
InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
3-Aminophthalhydrazide, 98%, Thermo Scientific Chemicals
CAS: 521-31-3 Formula molecolare: C8H7N3O2 Molecular Weight (g/mol): 177.163 Numero MDL: MFCD00006890 InChI Key: HWYHZTIRURJOHG-UHFFFAOYSA-N Sinonimo: luminol,3-aminophthalhydrazide,3-aminophthalic hydrazide,5-amino-2,3-dihydro-1,4-phthalazinedione,1,4-phthalazinedione, 5-amino-2,3-dihydro,3-aminophthalic acid hydrazide,5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione,unii-5exp385q4f,ccris 5962,3-aminophthalylhydrazide PubChem CID: 10638 IUPAC Name: 5-amino-2,3-dihydrophthalazine-1,4-dione SMILES: C1=CC2=C(C(=C1)N)C(=O)NNC2=O
Sinonimo | luminol,3-aminophthalhydrazide,3-aminophthalic hydrazide,5-amino-2,3-dihydro-1,4-phthalazinedione,1,4-phthalazinedione, 5-amino-2,3-dihydro,3-aminophthalic acid hydrazide,5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione,unii-5exp385q4f,ccris 5962,3-aminophthalylhydrazide |
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Numero MDL | MFCD00006890 |
PubChem CID | 10638 |
Formula molecolare | C8H7N3O2 |
CAS | 521-31-3 |
Molecular Weight (g/mol) | 177.163 |
SMILES | C1=CC2=C(C(=C1)N)C(=O)NNC2=O |
IUPAC Name | 5-amino-2,3-dihydrophthalazine-1,4-dione |
InChI Key | HWYHZTIRURJOHG-UHFFFAOYSA-N |
Thermo Scientific Chemicals Thiamine hydrochloride, 98.5-101.5%
CAS: 67-03-8 Formula molecolare: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.26 Numero MDL: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Sinonimo: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-ammino-2-metilpirimidina-5-il)metil]-4-metil-1,3-tiazol-3-io-5-il]etanolo;cloruro;cloridrato SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
Sinonimo | thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride |
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Numero MDL | MFCD00012780 |
PubChem CID | 6202 |
Formula molecolare | C12H17ClN4OS·HCl |
CAS | 67-03-8 |
Molecular Weight (g/mol) | 337.26 |
ChEBI | CHEBI:49105 |
SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-] |
IUPAC Name | 2-[3-[(4-ammino-2-metilpirimidina-5-il)metil]-4-metil-1,3-tiazol-3-io-5-il]etanolo;cloruro;cloridrato |
InChI Key | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
Vitamin B12, 98+% (dry wt basis), Thermo Scientific Chemicals
CAS: 68-19-9 Formula molecolare: C63H89CoN14O14P Molecular Weight (g/mol): 1356.396 Numero MDL: MFCD00151092 InChI Key: AGVAZMGAQJOSFJ-WZHZPDAFSA-M Sinonimo: vitamin b12 PubChem CID: 129893524 IUPAC Name: cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2]
Sinonimo | vitamin b12 |
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Numero MDL | MFCD00151092 |
PubChem CID | 129893524 |
Formula molecolare | C63H89CoN14O14P |
CAS | 68-19-9 |
Molecular Weight (g/mol) | 1356.396 |
SMILES | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2] |
IUPAC Name | cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- |
InChI Key | AGVAZMGAQJOSFJ-WZHZPDAFSA-M |
Neocuproine Hydrochloride Monohydrate, 99%, Thermo Scientific Chemicals
CAS: 303136-82-5 Formula molecolare: C14H12N2 Molecular Weight (g/mol): 208.26 Numero MDL: MFCD00150062 InChI Key: IYRGXJIJGHOCFS-UHFFFAOYSA-N Sinonimo: 2,9-dimethyl-1,10-phenanthroline hydrochloride monohydrate,2,9-dimethyl-1,10-phenanthroline hydrochloride hydrate,neocuproine hydrochloride monohydrate,neocuproine hydrate hydrochloride,c14h12n2.hcl.h2o,2,9-dimethyl-1,10-phenanthroline hydrate hydrochloride,neocuproine hydrochloride hydrate,neocuproinehydrochloridemonohydrate,neocuproine hydrochloride hydrate 98,neocuproine hydrochloride trihydrate, 98 % PubChem CID: 2723838 IUPAC Name: 2,9-dimethyl-1,10-phenanthroline;hydrate;hydrochloride SMILES: CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1
Sinonimo | 2,9-dimethyl-1,10-phenanthroline hydrochloride monohydrate,2,9-dimethyl-1,10-phenanthroline hydrochloride hydrate,neocuproine hydrochloride monohydrate,neocuproine hydrate hydrochloride,c14h12n2.hcl.h2o,2,9-dimethyl-1,10-phenanthroline hydrate hydrochloride,neocuproine hydrochloride hydrate,neocuproinehydrochloridemonohydrate,neocuproine hydrochloride hydrate 98,neocuproine hydrochloride trihydrate, 98 % |
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Numero MDL | MFCD00150062 |
PubChem CID | 2723838 |
Formula molecolare | C14H12N2 |
CAS | 303136-82-5 |
Molecular Weight (g/mol) | 208.26 |
SMILES | CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1 |
IUPAC Name | 2,9-dimethyl-1,10-phenanthroline;hydrate;hydrochloride |
InChI Key | IYRGXJIJGHOCFS-UHFFFAOYSA-N |
Serotonin hydrochloride, 98%, Thermo Scientific Chemicals
CAS: 153-98-0 Formula molecolare: C10H13ClN2O Molecular Weight (g/mol): 212.677 Numero MDL: MFCD00012686 InChI Key: MDIGAZPGKJFIAH-UHFFFAOYSA-N Sinonimo: serotonin hydrochloride,5-hydroxytryptamine hydrochloride,3-2-aminoethyl-1h-indol-5-ol hydrochloride,serotonin hcl,5-hydroxytryptamine hcl,unii-gkn429m9vs,ccris 4420,1h-indol-5-ol, 3-2-aminoethyl-, monohydrochloride,gkn429m9vs,3-2-aminoethyl indol-5-ol, chloride PubChem CID: 160436 IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN.Cl
Sinonimo | serotonin hydrochloride,5-hydroxytryptamine hydrochloride,3-2-aminoethyl-1h-indol-5-ol hydrochloride,serotonin hcl,5-hydroxytryptamine hcl,unii-gkn429m9vs,ccris 4420,1h-indol-5-ol, 3-2-aminoethyl-, monohydrochloride,gkn429m9vs,3-2-aminoethyl indol-5-ol, chloride |
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Numero MDL | MFCD00012686 |
PubChem CID | 160436 |
Formula molecolare | C10H13ClN2O |
CAS | 153-98-0 |
Molecular Weight (g/mol) | 212.677 |
SMILES | C1=CC2=C(C=C1O)C(=CN2)CCN.Cl |
IUPAC Name | 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride |
InChI Key | MDIGAZPGKJFIAH-UHFFFAOYSA-N |
N-Vinyl-2-pyrrolidone, 99%, stabilized with NaOH, Thermo Scientific Chemicals
CAS: 88-12-0 Formula molecolare: C6H9NO Molecular Weight (g/mol): 111.14 Numero MDL: MFCD00003197 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N Sinonimo: n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone PubChem CID: 6917 ChEBI: CHEBI:82551 IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: C=CN1CCCC1=O
Sinonimo | n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone |
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Numero MDL | MFCD00003197 |
PubChem CID | 6917 |
Formula molecolare | C6H9NO |
CAS | 88-12-0 |
Molecular Weight (g/mol) | 111.14 |
ChEBI | CHEBI:82551 |
SMILES | C=CN1CCCC1=O |
IUPAC Name | 1-ethenylpyrrolidin-2-one |
InChI Key | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
Cytochrome C From Horse Heart MP Biomedicals
CAS: 9007-43-6 Formula molecolare: C40H48FeN6O6S4 Molecular Weight (g/mol): 892.94 Numero MDL: MFCD00130890 InChI Key: UMUOLVQYJUIZKD-RHANTFMNSA-L Sinonimo: cytochrome c,3-7,12-bis 1-2-amino-3-methylamino-3-oxopropyl sulfanylethyl-18-2-carboxyethyl-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl propanoic acid; iron 2+ PubChem CID: 16057918 IUPAC Name: 3-[8,13-bis[1-[2-amino-3-(methylamino)-3-oxopropyl]sulfanylethyl]-18-(2-carboxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+) SMILES: CC(SC(=O)[C@@H](N)CS)C1=C(C)\C2=C\C3=C(C(C)SC(=O)[C@@H](N)CS)C(C)=C4CC5N=C(\C=C6/N([Fe++]N34)\C(=C/C1=N2)C(C)=C6CCC(O)=O)C(CCC(O)=O)=C5C

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Sinonimo | cytochrome c,3-7,12-bis 1-2-amino-3-methylamino-3-oxopropyl sulfanylethyl-18-2-carboxyethyl-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl propanoic acid; iron 2+ |
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Numero MDL | MFCD00130890 |
PubChem CID | 16057918 |
Formula molecolare | C40H48FeN6O6S4 |
CAS | 9007-43-6 |
Molecular Weight (g/mol) | 892.94 |
SMILES | CC(SC(=O)[C@@H](N)CS)C1=C(C)\C2=C\C3=C(C(C)SC(=O)[C@@H](N)CS)C(C)=C4CC5N=C(\C=C6/N([Fe++]N34)\C(=C/C1=N2)C(C)=C6CCC(O)=O)C(CCC(O)=O)=C5C |
IUPAC Name | 3-[8,13-bis[1-[2-amino-3-(methylamino)-3-oxopropyl]sulfanylethyl]-18-(2-carboxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+) |
InChI Key | UMUOLVQYJUIZKD-RHANTFMNSA-L |
IBA Lifesciences Biotin
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Imidazole, 99%, Thermo Scientific Chemicals
CAS: 288-32-4 Formula molecolare: C3H4N2 Molecular Weight (g/mol): 68.08 Numero MDL: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Sinonimo: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: N1C=CN=C1
Sinonimo | imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole |
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Numero MDL | MFCD00005183 |
PubChem CID | 795 |
Formula molecolare | C3H4N2 |
CAS | 288-32-4 |
Molecular Weight (g/mol) | 68.08 |
ChEBI | CHEBI:16069 |
SMILES | N1C=CN=C1 |
IUPAC Name | 1H-imidazole |
InChI Key | RAXXELZNTBOGNW-UHFFFAOYSA-N |
Mitomycin C, Fisher BioReagents™
CAS: 50-07-7 Formula molecolare: C15H18N4O5 Molecular Weight (g/mol): 334.332 InChI Key: NWIBSHFKIJFRCO-WUDYKRTCSA-N Sinonimo: mitomycin c,mitomycin,ametycine,mutamycin,ametycin,mitocin-c,mitomycinum,mytomycin,mytozytrex,mitomycin-c PubChem CID: 5746 ChEBI: CHEBI:27504 SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N
Sinonimo | mitomycin c,mitomycin,ametycine,mutamycin,ametycin,mitocin-c,mitomycinum,mytomycin,mytozytrex,mitomycin-c |
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PubChem CID | 5746 |
Formula molecolare | C15H18N4O5 |
CAS | 50-07-7 |
Molecular Weight (g/mol) | 334.332 |
ChEBI | CHEBI:27504 |
SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N |
InChI Key | NWIBSHFKIJFRCO-WUDYKRTCSA-N |
Phthalic Anhydride, 99%, Thermo Scientific Chemicals
CAS: 85-44-9 Formula molecolare: C8H4O3 Molecular Weight (g/mol): 148.12 Numero MDL: MFCD00005918 InChI Key: LGRFSURHDFAFJT-UHFFFAOYSA-N Sinonimo: phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen PubChem CID: 6811 ChEBI: CHEBI:36605 SMILES: O=C1OC(=O)C2=CC=CC=C12
Sinonimo | phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen |
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Numero MDL | MFCD00005918 |
PubChem CID | 6811 |
Formula molecolare | C8H4O3 |
CAS | 85-44-9 |
Molecular Weight (g/mol) | 148.12 |
ChEBI | CHEBI:36605 |
SMILES | O=C1OC(=O)C2=CC=CC=C12 |
InChI Key | LGRFSURHDFAFJT-UHFFFAOYSA-N |
1,8-Diazabicyclo[5.4.0]undec-7-ene, 98+%, Thermo Scientific Chemicals
CAS: 6674-22-2 Numero MDL: MFCD00006930 InChI Key: GQHTUMJGOHRCHB-UHFFFAOYSA-N Sinonimo: 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene PubChem CID: 81184 IUPAC Name: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine SMILES: C1CCC2=NCCCN2CC1
Sinonimo | 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene |
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Numero MDL | MFCD00006930 |
PubChem CID | 81184 |
CAS | 6674-22-2 |
SMILES | C1CCC2=NCCCN2CC1 |
IUPAC Name | 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine |
InChI Key | GQHTUMJGOHRCHB-UHFFFAOYSA-N |
9-Borabicyclo[3.3.1]nonane, 0.5M solution in THF, AcroSeal™, Thermo Scientific Chemicals
Peso formulazione | 122.02 |
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Sinonimo | 9-borabicyclo 3.3.1 nonane,9-borabicyclo 3.3.1 nonan,9-borabicyclo 3,3,1 nonane,9$l^ 2-borabicyclo 3.3.1 nonane,1s,5s-9-borabicyclo 3.3.1 nonane,monomer; 21205-91-4 dimer,9-borabicyclo 3.3.1 nonane,9-bbn,intetrahydrofuran |
Numero MDL | MFCD00074742 |
Pericolo per la salute 1 | GHS Signal Word: Danger |
Pericolo per la salute 2 | GHS H Statement In contact with water releases flammable gases. Highly flammable liquid and vapor. Causes severe skin burns and eye damage. May cause respiratory irritation. Suspected of causing cancer. May form explo |
Pericolo per la salute 3 | GHS P Statement Keep away from heat/sparks/open flames/hot surfaces. - No smoking. IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower. Handle under inert gas. Protect from moisture |
Molecular Weight (g/mol) | 122.02 |
SMILES | [B]1C2CCCC1CCC2 |
Densità | 0.8840g/mL |
InChI Key | AMKGKYQBASDDJB-UHFFFAOYSA-N |
Punto d'infiammabilità | −17°C |
Gravità specifica | 0.884 |
CAS min. % | 92.49 |
PubChem CID | 6327450 |
Formula molecolare | C8H15B |
Informazioni di solubilità | Solubility in water: reacts |
Fieser | 02,31; 03,24; 04,41; 05,46; 06,62; 07,29; 08,47; 09,57; 10,48; 11,68; 13,92; 14,52; 15,43; 17,49; 01,732; 04,356 |
CAS | 109-99-9 |
Materiale o nome chimico | 9-Borabicyclo[3.3.1]nonane |
IUPAC Name | 9$l^{2}-borabicyclo[3.3.1]nonane |
EINECS Number | 206-000-9 |
CAS max % | 93.86 |