Benzenemethanaminium, N,N-bis(2-methylpropyl)-N-[2-(2-phenoxyethoxy)ethyl]-, chloride (1:1)

HCID 89769

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Basic information

CAS: 22616-31-5
Standard SMILES: CC(C)C[N+](CCOCCOc1ccccc1)(Cc1ccccc1)CC(C)C.[Cl-]
InChIKey: ZAAVRTHHADULRN-UHFFFAOYSA-M
Molecular formula: C25H38ClNO2
Average molar mass: 420 g/mol
Monoisotopic mass: 419.2591071

Names & identifiers

Preferred name: Benzenemethanaminium, N,N-bis(2-methylpropyl)-N-[2-(2-phenoxyethoxy)ethyl]-, chloride (1:1)
IUPAC: benzyl-bis(2-methylpropyl)-[2-(2-phenoxyethoxy)ethyl]azanium chloride

Names & synonyms

22616-31-5Ammonium, benzyldiisobutyl(2-(2-phenoxyethoxy)ethyl)-, chlorideDTXSID50884897Benzenemethanaminium, N,N-bis(2-methylpropyl)-N-(2-(2-phenoxyethoxy)ethyl)-, chloride (1:1)Benzenemethanaminium, N,N-bis(2-methylpropyl)-N-(2-(2-phenoxyethoxy)ethyl)-, chlorideBenzenemethanaminium, N,N-bis(2-methylpropyl)-N-[2-(2-phenoxyethoxy)ethyl]-, chlorideBenzenemethanaminium, N,N-bis(2-methylpropyl)-N-[2-(2-phenoxyethoxy)ethyl]-, chloride (1:1)RefChem:117629DTXCID301024317ZAAVRTHHADULRN-UHFFFAOYSA-MN-Benzyl-2-methyl-N-(2-methylpropyl)-N-[2-(2-phenoxyethoxy)ethyl]propan-1-aminium chloride

Database identifiers

CAS: 22616-31-5
PubChem CID: 89769
DTXSID: DTXSID50884897

Properties

Computed structural properties

Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 13
Heavy atoms: 29
Formal charge: 0
Complexity: 374

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanaminium, N,N-bis(2-methylpropyl)-N-[2-(2-phenoxyethoxy)ethyl]-, chloride (1:1): INACTIVE

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