chempirical

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C15H33NO3SCAS 15163-36-7307.49 g/mol

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Quaternary ammoniumSulfonic acid

Properties

Molecular formula
C15H33NO3S
Molar mass
307.49 g/mol
Exact mass
307.2181 Da
logP
3.14Crippen estimate
Polar surface area
57.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
13

Identifiers

CAS number
15163-36-7
SMILES
CCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
InChIKey
WKALLSVICJPZTM-UHFFFAOYSA-N
InChI
InChI=1S/C15H33NO3S/c1-4-5-6-7-8-9-10-11-13-16(2,3)14-12-15-20(17,18)19/h4-15H2,1-3H3

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Names and synonyms

1 names
  • 3-(Decyldimethylazaniumyl)propane-1-sulfonate

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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

N-Octadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate13177-41-8100 % similar N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate14933-08-5100 % similar Zwittergent 3-1414933-09-6100 % similar N-Octylsulfobetaine15178-76-4100 % similar N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate2281-11-0100 % similar Sodium decanesulfonate13419-61-961 % similar Sodium hexadecylsulfonate15015-81-361 % similar Sodium heptanesulfonate22767-50-661 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook