1-(Carboxylatomethyl)-4,5-dihydro-3-(2-hydroxyethyl)-2-undecyl-1H-imidazolium

HCID 84709

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Basic information

CAS: 14933-33-6
Standard SMILES: CCCCCCCCCCCC1=[N+](CC(=O)[O-])CCN1CCO
InChIKey: SIUQYBAOZRAJQY-UHFFFAOYSA-N
Molecular formula: C18H34N2O3
Average molar mass: 326.5 g/mol
Monoisotopic mass: 326.25694295

Names & identifiers

Preferred name: 1-(Carboxylatomethyl)-4,5-dihydro-3-(2-hydroxyethyl)-2-undecyl-1H-imidazolium
IUPAC: 2-[3-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetate

Names & synonyms

14933-33-6EINECS 239-006-51-(Carboxylatomethyl)-4,5-dihydro-3-(2-hydroxyethyl)-2-undecyl-1H-imidazoliumDTXSID70933619[3-(2-Hydroxyethyl)-2-undecyl-4,5-dihydro-1H-imidazol-3-ium-1-yl]acetate

Database identifiers

CAS: 14933-33-6
PubChem CID: 84709
DTXSID: DTXSID70933619
EC Number: 239-006-5
Nikkaji: J241.350G

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 66.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 13
Heavy atoms: 23
Formal charge: 0
Complexity: 364

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