N,N-Bis(2-hydroxyethyl)-N-methylundecan-1-aminium chloride

HCID 59534

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Basic information

CAS: 102571-42-6
Standard SMILES: CCCCCCCCCCC[N+](C)(CCO)CCO.[Cl-]
InChIKey: RSMBRLAXHPRAAU-UHFFFAOYSA-M
Molecular formula: C16H36ClNO2
Average molar mass: 309.9 g/mol
Monoisotopic mass: 309.2434571

Names & identifiers

Preferred name: N,N-Bis(2-hydroxyethyl)-N-methylundecan-1-aminium chloride
IUPAC: bis(2-hydroxyethyl)-methyl-undecylazanium chloride
English name: Undecylbis(beta-hydroxyethyl)methylammonium chloride
Molecular formula: C16H36ClNO2
Molecular weight: 309.91554

Names & synonyms

102571-42-6DTXSID10907758n,n-bis(2-hydroxyethyl)-n-methylundecan-1-aminium chlorideRefChem:1090391DTXCID301336847Undecylbis(beta-hydroxyethyl)methylammonium chlorideAMMONIUM, BIS(2-HYDROXYETHYL)METHYLUNDECYL-, CHLORIDEbis(2-hydroxyethyl)-methyl-undecylazanium;chlorideSCHEMBL284826801-Undecanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-, chloride (1:1)

Database identifiers

CAS: 102571-42-6
PubChem CID: 59534
DTXSID: DTXSID10907758

Properties

Computed structural properties

Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 14
Heavy atoms: 20
Formal charge: 0
Complexity: 180

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