2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide

HCID 46795

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Basic information

CAS: 64048-54-0
Standard SMILES: CC(=O)Oc1c(C)cc(C)cc1[N+](C)(C)C.[Br-]
InChIKey: PTOLALBYYJIENX-UHFFFAOYSA-M
Molecular formula: C13H20BrNO2
Average molar mass: 302.21 g/mol
Monoisotopic mass: 301.06774

Names & identifiers

Preferred name: 2-(Acetyloxy)-N,N,N,3,5-pentamethylanilinium bromide
IUPAC: (2-acetyloxy-3,5-dimethylphenyl)-trimethylazanium bromide

Names & synonyms

64048-54-0DTXSID109822822-(ACETYLOXY)-N,N,N,3,5-PENTAMETHYLANILINIUM BROMIDERefChem:1061418DTXCID601409546(2-Acetoxy-3,5-dimethyl)phenyltrimethylammonium bromideRo 2-2649AMMONIUM, (2-ACETOXY-3,5-DIMETHYL)PHENYLTRIMETHYL-, BROMIDE

Database identifiers

CAS: 64048-54-0
PubChem CID: 46795
DTXSID: DTXSID10982282

Properties

Computed structural properties

Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 257

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