Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, 2-bromo-N,N-dimethyl-, hydrochloride

HCID 6435539

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 95424-10-5
Standard SMILES: C[NH+](C)CC/C=C1/c2ccccc2CSc2ccc(Br)cc21.[Cl-]
InChIKey: HMTGDHAAHNLZGR-LIUCOPNQSA-N
Molecular formula: C19H21BrClNS
Average molar mass: 410.8 g/mol
Monoisotopic mass: 409.02666

Names & identifiers

Preferred name: Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, 2-bromo-N,N-dimethyl-, hydrochloride
IUPAC: [(3Z)-3-(2-bromo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride

Names & synonyms

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, 2-bromo-N,N-dimethyl-, hydrochloride95424-10-5RefChem:10833252-Bromo-N,N-dimethyldibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine hydrochloride

Database identifiers

CAS: 95424-10-5
PubChem CID: 6435539

Properties

Computed structural properties

Topological polar surface area: 29.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 395

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…