Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1)

HCID 38534

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Basic information

CAS: 40616-76-0
Standard SMILES: CC[NH+](Cc1ccccc1Br)CC(C)Cl.[Cl-]
InChIKey: DOUJBWOPOMMXNF-UHFFFAOYSA-N
Molecular formula: C12H18BrCl2N
Average molar mass: 327.08 g/mol
Monoisotopic mass: 324.99997

Names & identifiers

Preferred name: Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1)
IUPAC: (2-bromophenyl)methyl-(2-chloropropyl)-ethylazanium chloride

Names & synonyms

40616-76-0RefChem:1078492Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1)BENZYLAMINE, o-BROMO-N-(2-CHLOROPROPYL)-N-ETHYL-, HYDROCHLORIDEo-Bromo-N-(2-chloropropyl)-N-ethylbenzylamine hydrochloride

Database identifiers

CAS: 40616-76-0
PubChem CID: 38534

Properties

Computed structural properties

Topological polar surface area: 4.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 177

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