chempirical

Palmitamidopropyltrimonium chloride

C22H47ClN2OCAS 51277-96-4391.08 g/mol

Open in Covalent MOL file
O−NN+HCl
ImineQuaternary ammonium

Properties

Molecular formula
C22H47ClN2O
Molar mass
391.08 g/mol
Exact mass
390.3377 Da
logP
5.74Crippen estimate
Polar surface area
35.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
18

Identifiers

CAS number
51277-96-4
SMILES
CCCCCCCCCCCCCCCC([O-])=NCCC[N+](C)(C)C.Cl
InChIKey
IREAODMQYCOAGP-UHFFFAOYSA-N
InChI
InChI=1S/C22H46N2O.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(25)23-20-18-21-24(2,3)4;/h5-21H2,1-4H3;1H

Weigh it out

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

Names and synonyms

5 names
  • 1-Propanaminium, N,N,N-trimethyl-3-[(1-oxohexadecyl)amino]-, chloride (1:1)
  • 1-Propanaminium, N,N,N-trimethyl-3-[(1-oxohexadecyl)amino]-, chloride
  • Trimethyl(3-palmitamidopropyl)ammonium chloride
  • (Hexadecylamidopropyl)trimethylammonium chloride
  • Varisoft PATC

Work with Palmitamidopropyltrimonium 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

[3-(Methacryloylamino)propyl]trimethylammonium chloride51410-72-150 % similar Cetyltrimethylammonium hydroxide505-86-246 % similar Dodecyltrimethylammonium bromide1119-94-442 % similar Tetradecyltrimethylammonium bromide1119-97-742 % similar Dodecyltrimethylammonium chloride112-00-542 % similar Cetrimonium chloride112-02-742 % similar Stearyltrimethylammonium chloride112-03-842 % similar Octadecyltrimethylammonium bromide1120-02-142 % similar

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

Elsewhere

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