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

HCID 36038

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Basic information

CAS: 32047-67-9
Standard SMILES: C[NH2+]CCC[NH+]1Cc2ccccc2Nc2ccccc21.[Cl-].[Cl-]
InChIKey: FPAFSTKWKCXYFZ-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-10-(3-(methylamino)propyl)-, dihydrochloride
IUPAC: 3-(6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-5-ium-5-yl)propyl-methylazanium dichloride

Names & synonyms

5H-Dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-10-(3-(methylamino)propyl)-, dihydrochloride32047-67-9RefChem:107348810-(3-(Methylamino)propyl)-10,11-dihydro-5H-dibenzo(b,e)(1,4)diazepine dihydrochloride

Database identifiers

CAS: 32047-67-9
PubChem CID: 36038

Properties

Computed structural properties

Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 294

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