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N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate

CAS: 14933-08-5 | C17H37NO3S

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 14933-08-5
Molecular Formula: C17H37NO3S
Molecular Weight: 335.554 g/mol

Names and Synonyms:

N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate
DDAPS
N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
N-Dodecyl-N,N-dimethylammonio-3-propanesulfonate
Dodecyldimethyl(3-sulfopropyl)ammonium hydroxide
Sulfobetain 12
α-(Dodecyldimethylammonio)-ω-propanesulfonate
3-(Dodecyldimethylammonio)-1-propanesulfonate
Dodecyldimethyl(3-sulfopropyl)ammonium hydroxide inner salt
NDA
Hartomer HB 5175
Sulfobetaine 12
3-(N-Dodecyl-N,N-dimethylammonio)-1-propanesulfonate
SB12 (quaternary compound)
Ralufon DL
SB12
SB 3-12
Zwittergent TM 12
Zwittergent TM 3-12
3-(N-Dodecyl-N,N-dimethylammonium)propane-1-sulfonic acid inner salt
ZWT 12
ZWIG 12
N-Dodecylsulfobetaine
Zwittergent 3-12
3-(Dimethyldodecylammonio)propane-1-sulfonate
3-(N,N-Dimethyl-N-dodecylammonio)propane-1-sulfonate
1-Dodecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, inner salt
Ammonium, dodecyldimethyl(3-sulfopropyl)-, hydroxide, inner salt
1-Dodecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt
Dodecyldimethylammonium propanesulfonate
C12APS
C 12APS
DSB
SB 12 (onium compound)
SB 12
3-(N,N-Dimethyl-1-dodecylammonium)propanesulfonate
3-(Dodecyldimethylammonio)propanesulfonate inner salt
N-Dodecyl-N,N-dimethyl-3-ammonium-1-propanesulfonate
Anzergent 3-12
3-(N-Lauryl-N,N-dimethylamino)propanesulfonate inner salt
3-(N,N-Dimethyl-N-laurylamino)propanesulfonic acid inner salt
DPS
ZW 3-12
N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulphonate
Laurylpropylsulfobetaine
3-(Dodecyldimethylammonio)propanesulfonate
Sulfobetaine 3-10
Dodecyldimethyl(3-sulfopropyl)ammonium inner salt

Identifiers:

SMILES:
CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
InChI:
InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 335.554 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 335.24941504399993 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 22 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 3 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 15 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 57.2 Ų RDKit

Physical Properties

Property Value Source
LogP 3.919000000000003 RDKit
molecular_mass 335.55 g/mol Legacy Database
cas-canonical-smile O=S(=O)([O-])CCC[N+](C)(C)CCCCCCCCCCCC None Legacy Database
cas-inchi InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3 None Legacy Database
cas-inchi-key InChIKey=IZWSFJTYBVKZNK-UHFFFAOYSA-N None Legacy Database
cas-melting-point 300-302 °C (decomp) @ Solvent: Water, Diethyl ether, Ethanol None Legacy Database
cas-name N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate None Legacy Database

Molar

Property Value Source
Molar Refractivity 92.86760000000008 RDKit

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