N-[2-(Dodecyloxy)ethyl]-N,N-bis(2-hydroxyethyl)benzenemethanaminium

HCID 422015

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Basic information

CAS: 747371-11-5
Standard SMILES: CCCCCCCCCCCCOCC[N+](CCO)(CCO)Cc1ccccc1
InChIKey: KMINEMNKCITDMT-UHFFFAOYSA-N
Molecular formula: C25H46NO3+
Average molar mass: 408.6 g/mol
Monoisotopic mass: 408.34776933

Names & identifiers

Preferred name: N-[2-(Dodecyloxy)ethyl]-N,N-bis(2-hydroxyethyl)benzenemethanaminium
IUPAC: benzyl-(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium

Names & synonyms

747371-11-5SCHEMBL9571829DTXSID001162227N-[2-(Dodecyloxy)ethyl]-N,N-bis(2-hydroxyethyl)benzenemethanaminiumN-Benzyl-2-(dodecyloxy)-N,N-bis(2-hydroxyethyl)ethan-1-aminium

Database identifiers

CAS: 747371-11-5
PubChem CID: 422015
DTXSID: DTXSID001162227

Properties

Computed structural properties

XLogP: 5.8
Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 20
Heavy atoms: 29
Formal charge: 1
Complexity: 339

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