5H-Dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-10-(3-(dimethylamino)propyl)-, hydrochloride

HCID 20947

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Basic information

CAS: 4810-48-4
Standard SMILES: C[NH+](C)CCCN1Cc2ccccc2Nc2ccccc21.[Cl-]
InChIKey: BUDUFPNCIGGBNK-UHFFFAOYSA-N
Molecular formula: C18H24ClN3
Average molar mass: 317.9 g/mol
Monoisotopic mass: 317.1658755

Names & identifiers

Preferred name: 5H-Dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-10-(3-(dimethylamino)propyl)-, hydrochloride
IUPAC: 3-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-yl)propyl-dimethylazanium chloride

Names & synonyms

5H-Dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-10-(3-(dimethylamino)propyl)-, hydrochloride10-(3-(Dimethylamino)propyl)-10,11-dihydro-5H-dibenzo(b,e)(1,4)diazepine hydrochloride4810-48-4RefChem:305618

Database identifiers

CAS: 4810-48-4
PubChem CID: 20947

Properties

Computed structural properties

Topological polar surface area: 19.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 318

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