AC1NB8BA
ethyl 6-amino-5,5,7-tricyano-8-(3-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: AM-807/41931764|ethyl 6-amino-5,5,7-tricyano-8-(3-fluorophenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate|ethyl 6-amino-5,5,7-tricyano-8-(3-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
CAS: 665000-33-9
| Molecular Formula | C21H18FN5O2 |
|---|---|
| Molecular Weight | 391.14444 g/mol |
| LogP | 2.70754 |
| Topological Polar Surface Area | 126.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.14444 |
| Monoisotopic Mass | 391.14444 |
| Heavy Atoms | 29 |
| Complexity | 1026.3768 |
Chemical Identifiers
| CAS Number | 665000-33-9 |
|---|---|
| SMILES | CCOC(=O)N1CC=C2C(C1)C(C(=C(C2(C#N)C#N)N)C#N)C3=CC(=CC=C3)F |
Product Overview
AC1NB8BA (CAS 665000-33-9), with molecular formula C21H18FN5O2 and molecular weight 391.14444 g/mol. IUPAC: ethyl 6-amino-5,5,7-tricyano-8-(3-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
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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