3,5-Methano-2,3,4,5-tetrahydro-1H-2-benzazepine
8-azatricyclo[8.1.1.02,7]dodeca-2,4,6-triene
Also Known As: 3,5-Methano-2,3,4,5-tetrahydro-1H-2-benzazepine|3,5-methano-2,3,4,5-tetrahydro-1H-1 benzazepine|3,5-Methano-2,3,4,5(1H)-tetrahydrobenzo(b)azepine
CAS: 94641-45-9
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.1048 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.1048 |
| Monoisotopic Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 94641-45-9 |
|---|---|
| SMILES | C1C2CC1C3=CC=CC=C3NC2 |
| InChIKey | CHGFVFJOZXPPDI-UHFFFAOYSA-N |
Product Overview
3,5-Methano-2,3,4,5-tetrahydro-1H-2-benzazepine (CAS 94641-45-9), with molecular formula C11H13N and molecular weight 159.1048 g/mol. IUPAC: 8-azatricyclo[8.1.1.02,7]dodeca-2,4,6-triene.
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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