AG003I7Y

13177-41-8 | 3-[dimethyl(octadecyl)azaniumyl]propane-1-sulfonate

AG003I7Y

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CAS Number	13177-41-8
Catalog Number	AG003I7Y(AGN-PC-0PJJZN)
Chemical Name	3-[dimethyl(octadecyl)azaniumyl]propane-1-sulfonate
EC Number	236-124-9
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
MDL Number	MFCD00043218
Molecular Formula	C23H49NO3S
Molecular Weight	419.7051
SMILES	O=S(CCC[N+](C)(C)CCCCCCCCCCCCCCCCCC)([O-])=O
Synonyms	13177-41-8, 3-(Dimethyl(octadecyl)ammonio)propane-1-sulfonate, Stearyl sulfobetaine, 3-[dimethyl(octadecyl)ammonio]propane-1-sulfonate, N-Octadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate, EINECS 236-124-9, 3-(N,N-Dimethyloctadecylammonio)propanesulfonate, 3-(Stearyl-dimethylammonio)propanesulfonate, 3-(N,N-Dimethylstearylammonio)propanesulfonate, 1-Octadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt, 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, AC1L34XT, SCHEMBL61271, Dimethyloctadecyl(3-sulphopropyl)ammonium hydroxide, AC1Q22O2, CTK8D4828, KS-00000NBG, DIROHOMJLWMERM-UHFFFAOYSA-N, 5226AH, AKOS016014933, API0003616, 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,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, 1-Octadecanamine, N,N-dimethyl-, reaction products with 1,2-oxathiolane 2,2-dioxide, 90459-46-4,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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