AC1LR5XS
(8S,8aR)-6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile
Also Known As: AM-807/12740135|(8S,8aR)-6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile|6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile|(8S,8aR)-6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile
CAS: 494792-11-9
| Molecular Formula | C22H23N5O2 |
|---|---|
| Molecular Weight | 389.18518 g/mol |
| LogP | 2.49694 |
| Topological Polar Surface Area | 127.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.18518 |
| Monoisotopic Mass | 389.18518 |
| Heavy Atoms | 29 |
| Complexity | 975.9257 |
Chemical Identifiers
| CAS Number | 494792-11-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)[C@@H]2[C@H]3CNCC=C3C(=C(C2(C#N)C#N)N)C#N)OCC |
Product Overview
AC1LR5XS (CAS 494792-11-9), with molecular formula C22H23N5O2 and molecular weight 389.18518 g/mol. IUPAC: (8S,8aR)-6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-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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