Lauryldimethyl-3,4-dichlorobenzylammonium

HCID 7606

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Basic information

CAS: 58390-78-6
Standard SMILES: CCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)c(Cl)c1
InChIKey: RZTDURBNLDNTQU-UHFFFAOYSA-N
Molecular formula: C21H36Cl2N+
Average molar mass: 373.4 g/mol
Monoisotopic mass: 372.2224805

Names & identifiers

Preferred name: Lauryldimethyl-3,4-dichlorobenzylammonium
IUPAC: (3,4-dichlorophenyl)methyl-dodecyl-dimethylazanium

Names & synonyms

Lauryldimethyl-3,4-dichlorobenzylammoniumUNII-ID7ZSG735OID7ZSG735OAmmonium, (3,4-dichlorobenzyl)dodecyldimethyl58390-78-6Benzenemethanaminium, 3,4-dichloro-N-dodecyl-N,N-dimethyl-ammoniumSCHEMBL98159573,4-Dichloro-N-dodecyl-N,N-dimethylbenzenemethanaminiumCHEMBL3275188DTXSID6058429Q27280667N-[(3,4-Dichlorophenyl)methyl]-N,N-dimethyldodecan-1-aminium

Database identifiers

CAS: 58390-78-6
PubChem CID: 7606
DTXSID: DTXSID6058429
ChEMBL: CHEMBL3275188
UNII: ID7ZSG735O
Nikkaji: J209.391J

Properties

Computed structural properties

XLogP: 8.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 13
Heavy atoms: 24
Formal charge: 1
Complexity: 306

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