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13177-41-8,MFCD00043218
Catalog No.:AA003I56
13177-41-8 | 3-(Dimethyl(octadecyl)ammonio)propane-1-sulfonate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
97%
in stock  
$38.00   $27.00
- +
25g
97%
in stock  
$62.00   $43.00
- +
100g
97%
in stock  
$197.00   $138.00
- +
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Technical Information
Catalog Number:
AA003I56
Chemical Name:
3-(Dimethyl(octadecyl)ammonio)propane-1-sulfonate
CAS Number:
13177-41-8
Molecular Formula:
C23H49NO3S
Molecular Weight:
419.7051
MDL Number:
MFCD00043218
IUPAC Name:
3-[dimethyl(octadecyl)azaniumyl]propane-1-sulfonate
InChI:
InChI=1S/C23H49NO3S/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/h4-23H2,1-3H3
InChI Key:
DIROHOMJLWMERM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC[N+](CCCS(=O)(=O)[O-])(C)C
EC Number:
236-124-9
Properties
Computed Properties
 
Complexity:
416  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.343g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.709g/mol
Monoisotopic Mass:
419.343g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3  

Synonyms
 
13177-41-8 
3-(Dimethyl(octadecyl)ammonio)propane-1-sulfonate 
1-Octadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, inner salt 
MFCD00043218 
SB3-18 
AK128985 
3-(Dimethyloctadecylazaniumyl)propane-1-sulfonate 
Octadecyldimethyl(3-sulfopropyl)ammonium Hydroxide Inner Salt 
N-Octadecyl-N,N-dimethyl-3-ammonio-1- propanesulfonate (SB-18) 
Sulfobetaine 18 
C23H49NO3S 
n-octadecyldimethyl(3-sulfopropyl)ammonium hydroxide 
Stearyl sulfobetaine 
AC1L34XT 
SCHEMBL61271 
Dimethyloctadecyl(3-sulphopropyl)ammonium hydroxide 
AC1Q22O2 
CTK8D4828 
KS-00000NBG 
DIROHOMJLWMERM-UHFFFAOYSA-N 
5226AH 
AKOS016014933 
API0003616 
3-[dimethyl(octadecyl)ammonio]propane-1-sulfonate 
AN-19538 
AX8080665 
ST2410382 
FT-0758942 
O0261 
3-(N,N-dimethylstearylammonio)-propanesulfonate 
3-[Dimethyl(stearyl)ammonio]propane-1-sulfonate 
3-Sulfopropyl Octadecyl Dimethyl Ammonium Betaine 
3-[dimethyl(octadecyl)azaniumyl]propane-1-sulfonate 
J-006050 
N-Octadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate 
N,N-Dimethyl-N-stearyl-N-(3-sulfopropyl)-ammonium betaine 
Stearyldimethyl(3-sulfopropyl)ammonium Hydroxide Inner Salt 
n-Octadecyldimethyl(3-sulfopropyl)ammonium hydroxide, inner salt 
CID83205 
C23-H49-N-O3-S 
EINECS 291-690-4 
AR-1F1189 
3-(Dimethyloctadecylammonio)propanesulfonate 
Sulfuric acid, monodecyl ester, ammonium salt 
13277-76-4 
EINECS 236-124-9 
1-Octadecanamine, N,N-dimethyl-, reaction products with 1,2-oxathiolane 2,2-dioxide 
90459-46-4 
3-(N,N-Dimethyloctadecylammonio)propanesulfonate 
3-(Stearyl-dimethylammonio)propanesulfonate 
3-(N,N-Dimethylstearylammonio)propanesulfonate 
1-Octadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt 
Literature
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