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

HCID 36036

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Basic information

CAS: 32047-65-7
Standard SMILES: C[NH2+]CCCN1c2ccccc2C[NH2+]c2ccccc21.[Cl-].[Cl-]
InChIKey: MBDSEQQSRUBDRQ-UHFFFAOYSA-N
Molecular formula: C17H23Cl2N3
Average molar mass: 340.3 g/mol
Monoisotopic mass: 339.1269031

Names & identifiers

Preferred name: 5H-Dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-5-(3-(methylamino)propyl)-, dihydrochloride
IUPAC: 3-(5,6-dihydrobenzo[b][1,4]benzodiazepin-5-ium-11-yl)propyl-methylazanium dichloride

Names & synonyms

5H-Dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-5-(3-(methylamino)propyl)-, dihydrochloride5-(3-(Methylamino)propyl)-10,11-dihydro-5H-dibenzo(b,e)(1,4)diazepine dihydrochloride32047-65-7RefChem:305624

Database identifiers

CAS: 32047-65-7
PubChem CID: 36036

Properties

Computed structural properties

Topological polar surface area: 36.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 294

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