Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride

HCID 13429

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Basic information

CAS: 879-96-9
Standard SMILES: C#CC[NH+](C)Cc1ccccc1Br.[Cl-]
InChIKey: LUTNYVBBRFDJTM-UHFFFAOYSA-N
Molecular formula: C11H13BrClN
Average molar mass: 274.58 g/mol
Monoisotopic mass: 272.99199

Names & identifiers

Preferred name: Benzylamine, o-bromo-N-methyl-N-2-propynyl-, hydrochloride
IUPAC: (2-bromophenyl)methyl-methyl-prop-2-ynylazanium chloride

Names & synonyms

BENZYLAMINE, o-BROMO-N-METHYL-N-2-PROPYNYL-, HYDROCHLORIDE879-96-9RefChem:1079530N-(o-Bromobenzyl)-N-methyl-2-propynylamine hydrochlorideo-Bromo-N-methyl-N-2-propynylbenzylamine hydrochloride

Database identifiers

CAS: 879-96-9
PubChem CID: 13429

Properties

Computed structural properties

Topological polar surface area: 4.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 194

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