AC1O48NK
(8S,8aR)-6-amino-8-(4-methoxynaphthalen-1-yl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: (8S,8aR)-6-amino-8-(4-methoxynaphthalen-1-yl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile|(8S,8aR)-6-amino-8-(4-methoxynaphthalen-1-yl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CAS: 459153-91-4
| Molecular Formula | C26H25N5O |
|---|---|
| Molecular Weight | 423.2059 g/mol |
| LogP | 3.98374 |
| Topological Polar Surface Area | 109.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.2059 |
| Monoisotopic Mass | 423.2059 |
| Heavy Atoms | 32 |
| Complexity | 1239.6848 |
Chemical Identifiers
| CAS Number | 459153-91-4 |
|---|---|
| SMILES | CCCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C4=CC=CC=C34)OC |
Product Overview
AC1O48NK (CAS 459153-91-4), with molecular formula C26H25N5O and molecular weight 423.2059 g/mol. IUPAC: (8S,8aR)-6-amino-8-(4-methoxynaphthalen-1-yl)-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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