chempirical

Lauroylcholine chloride

C17H36ClNO2CAS 25234-60-0321.93 g/mol

Open in Covalent MOL file
OON+Cl−
EsterQuaternary ammonium

Properties

Molecular formula
C17H36ClNO2
Molar mass
321.93 g/mol
Exact mass
321.2435 Da
logP
1.16Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
13

Identifiers

CAS number
25234-60-0
SMILES
CCCCCCCCCCCC(=O)OCC[N+](C)(C)C.[Cl-]
InChIKey
BBJUKVPDIPYNBS-UHFFFAOYSA-M
InChI
InChI=1S/C17H36NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-17(19)20-16-15-18(2,3)4;/h5-16H2,1-4H3;1H/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Ethanaminium, N,N,N-trimethyl-2-[(1-oxododecyl)oxy]-, chloride (1:1)
  • Choline, chloride, laurate
  • Ethanaminium, N,N,N-trimethyl-2-[(1-oxododecyl)oxy]-, chloride
  • Lauric acid, ester with choline chloride
  • O-Lauroylcholine chloride
  • N-[β-(Dodecanoyloxy)ethyl]trimethylammonium chloride
  • Choline laurate chloride
  • LM 2MC
  • N-Lauroylcholine chloride

Work with Lauroylcholine chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Butyrylcholine chloride2963-78-277 % similar Succinylcholine chloride71-27-271 % similar Succinylcholine chloride dihydrate6101-15-165 % similar Butyrylcholine iodide2494-56-663 % similar Butyl laurate106-18-363 % similar Butyl myristate110-36-163 % similar Butyl palmitate111-06-863 % similar Dioctyl adipate123-79-563 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook