AC1LR5U7
(8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile|(8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CAS: 306293-82-3
| Molecular Formula | C21H19ClN6O2 |
|---|---|
| Molecular Weight | 422.1258 g/mol |
| LogP | 3.38354 |
| Topological Polar Surface Area | 143.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.1258 |
| Monoisotopic Mass | 422.1258 |
| Heavy Atoms | 30 |
| Complexity | 1074.1846 |
Chemical Identifiers
| CAS Number | 306293-82-3 |
|---|---|
| SMILES | CCCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
AC1LR5U7 (CAS 306293-82-3), with molecular formula C21H19ClN6O2 and molecular weight 422.1258 g/mol. IUPAC: (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-propyl-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.
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