3-(Trihydroxysilyl)propyldimethyloctadecyl ammonium chloride

C₂₃H₅₂ClNO₃SiCAS 199111-50-7454.21 g/mol

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Quaternary ammonium

Properties

Molecular formula: C₂₃H₅₂ClNO₃Si
Molar mass: 454.21 g/mol
Exact mass: 453.3405 Da
logP: 2.63Crippen estimate
Polar surface area: 60.7 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 21

Identifiers

CAS number

199111-50-7

SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](O)(O)O.[Cl-]

InChIKey

GVUBZTSOFTYNQE-UHFFFAOYSA-M

InChI

InChI=1S/C23H52NO3Si.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2,3)22-20-23-28(25,26)27;/h25-27H,4-23H2,1-3H3;1H/q+1;/p-1

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Names and synonyms

7 names

1-Octadecanaminium, N,N-dimethyl-N-[3-(trihydroxysilyl)propyl]-, chloride (1:1)
1-Octadecanaminium, N,N-dimethyl-N-[3-(trihydroxysilyl)propyl]-, chloride
Octadecyldimethyl(3-trihydroxysilylpropyl)ammonium chloride
AEM 5772-2
3-(Trihydroxysilyl)propyl-N-octadecyl-N,N-dimethylammonium chloride
3-(Trihydroxysilyl)propyloctadecyldimethyl ammonium chloride
QS 72-5

Work with 3-(Trihydroxysilyl)propyldimethyloctadecyl ammonium 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

Dimethyldioctadecylammonium chloride107-64-269 % similar Octyldecyldimethylammonium chloride32426-11-269 % similar Dilauryldimethylammonium chloride3401-74-969 % similar Dioctyldimethylammonium chloride5538-94-369 % similar Didecyldimethylammonium chloride7173-51-569 % similar Dimethyloctadecyl(3-trimethoxysilylpropyl)ammonium chloride27668-52-662 % similar Tdta41591-87-162 % similar Didecyl dimethyl ammonium bromide2390-68-353 % similar

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

Elsewhere

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