AC1NR5K9
tert-butyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propan-2-yloxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: tert-butyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propan-2-yloxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate|tert-Butyl 6-amino-5,7,7-tricyano-8-{3-ethoxy-4-[(propan-2-yl)oxy]phenyl}-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
CAS: 4645-55-0
| Molecular Formula | C28H33N5O4 |
|---|---|
| Molecular Weight | 503.25327 g/mol |
| LogP | 4.53294 |
| Topological Polar Surface Area | 145.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 503.25327 |
| Monoisotopic Mass | 503.25327 |
| Heavy Atoms | 37 |
| Complexity | 1239.0757 |
Chemical Identifiers
| CAS Number | 4645-55-0 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OC(C)(C)C)OC(C)C |
Product Overview
AC1NR5K9 (CAS 4645-55-0), with molecular formula C28H33N5O4 and molecular weight 503.25327 g/mol. IUPAC: tert-butyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propan-2-yloxyphenyl)-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.
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