AC1LUJ00
(8S,8aR)-2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 06899788|AM-807/12740145|(8S,8aR)-2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile|(8S,8aR)-2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile|2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
CAS: 494792-16-4
| Molecular Formula | C25H27N5O3 |
|---|---|
| Molecular Weight | 445.2114 g/mol |
| LogP | 3.14594 |
| Topological Polar Surface Area | 136.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.2114 |
| Monoisotopic Mass | 445.2114 |
| Heavy Atoms | 33 |
| Complexity | 1118.1672 |
Chemical Identifiers
| CAS Number | 494792-16-4 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)[C@@H]2[C@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)C)OCC |
Product Overview
AC1LUJ00 (CAS 494792-16-4), with molecular formula C25H27N5O3 and molecular weight 445.2114 g/mol. IUPAC: (8S,8aR)-2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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