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C₁₅H₃₃NO₃SCAS 15163-36-7307.49 g/mol

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Quaternary ammonium Sulfonic 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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 13

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.3% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Work with Zwittergent 310

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