Indolo(1,7-ab)(1)benzazepine-1-ethanamine, 6,7-dihydro-N,N-dibenzyl-, monohydrochloride

HCID 42398

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Basic information

CAS: 57529-84-7
Standard SMILES: [Cl-].c1ccc(C[NH+](CCc2cc3cccc4c3n2-c2ccccc2CC4)Cc2ccccc2)cc1
InChIKey: IWBVOUPYRXFQPE-UHFFFAOYSA-N
Molecular formula: C32H31ClN2
Average molar mass: 479.1 g/mol
Monoisotopic mass: 478.2175767

Names & identifiers

Preferred name: Indolo(1,7-ab)(1)benzazepine-1-ethanamine, 6,7-dihydro-N,N-dibenzyl-, monohydrochloride
IUPAC: 2-(1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethyl-dibenzylazanium chloride

Names & synonyms

6,7-Dihydro-N,N-dibenzyl-indolo(1,7-ab)(1)benzazepine-1-ethanamine hydrochlorideIndolo(1,7-ab)(1)benzazepine-1-ethanamine, 6,7-dihydro-N,N-dibenzyl-, monohydrochloride57529-84-7RefChem:349399

Database identifiers

CAS: 57529-84-7
PubChem CID: 42398

Properties

Computed structural properties

Topological polar surface area: 9.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 35
Formal charge: 0
Complexity: 601

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