G 31515

HCID 77141

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Basic information

CAS: 3589-23-9
Standard SMILES: CN(C)CCCN1c2cc(Cl)ccc2C=Cc2ccc(Cl)cc21
InChIKey: SBKMXWMJQKSYIA-UHFFFAOYSA-N
Molecular formula: C19H20Cl2N2
Average molar mass: 347.3 g/mol
Monoisotopic mass: 346.100354

Names & identifiers

Preferred name: G 31515
IUPAC: 3-(2,9-dichlorobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
English name: 3,7-Dichloro-5-[3-(dimethylamino)propyl]-5H-dibenz[b,f]azepine
Molecular formula: C19H20Cl2N2
Molecular weight: 347.28

Names & synonyms

G 315153589-23-93,7-Dichloro-5-(3'-(N,N-dimethylamino)propyl)-5H-dibenz(b,f)azepine5H-Dibenz(b,f)azepine, 3,7-dichloro-5-(3'-(N,N-dimethylamino)propyl)-RefChem:3459693-(3,7-dichloro-5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amineDTXSID609573043,7-Dichloro-5-[3-(dimethylamino)propyl]-5H-dibenz[b,f]azepine5H-Dibenz[b,f]azepine-5-propanamine, 3,7-dichloro-N,N-dimethyl-

Database identifiers

CAS: 3589-23-9
PubChem CID: 77141
DTXSID: DTXSID60957304
Nikkaji: J53.919H

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 6.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 382

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