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Cas Database |
| Name |
3-(N,N-Dimethylpalmitylammonio)propanesulfonate |
EINECS | 218-918-7 |
| CAS No. | 2281-11-0 | Density | g/cm3 |
| PSA | 65.58000 | LogP | 6.56020 |
| Solubility | Soluble in Water. | Melting Point |
253-255 ºC |
| Formula | C21H45 N O3 S | Boiling Point | °Cat760mmHg |
| Molecular Weight | 391.659 | Flash Point | °C |
| Transport Information | N/A | Appearance | White Solid |
| Safety | S26;S36 | Risk Codes | R36/37/38 |
| Molecular Structure |
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Hazard Symbols |
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| Synonyms |
1-Hexadecanaminium,N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, inner salt; Ammonium, hexadecyldimethyl(3-sulfopropyl)-,hydroxide, inner salt (8CI); Hexadecyldimethyl(3-sulfopropyl)ammoniumhydroxide, inner salt (7CI); 3-(Dimethylhexadecylammonio)propanesulfonate;3-(Hexadecyldimethylammonio)propane-1-sulfonate;3-(Hexadecyldimethylammonio)propanesulfonate;3-(Hexadecyldimethylammonium)-1-sulfopropane betaine;3-(N,N-Dimethyl-N-hexadecylammonio)propane-1-sulfonate;3-(N,N-Dimethylpalmitylammonio)propanesulfonate inner salt;3-(N,N-Dimethylpalmitylammonium)propanesulfonate; 3-(N-Hexadecyl-N,N-dimethylammonio)propane-1-sulfonate;3-Cetyldimethylammonium-1-propanesulfonate;3-[N-(Hexadecyl)-N,N-dimethylamino]propane-1-sulfonate; HPS;N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate; NSC 628322; SB 3-16;SB16; Sulfobetaine 16; Zwittergent 3-16 |
Article Data | 10 |
3-(N,N-Dimethylpalmitylammonio)propanesulfonate Chemical Properties
IUPAC Name: 3-[Hexadecyl(dimethyl)azaniumyl]propane-1-sulfonate
Following is the structure of 1-Hexadecanaminium,N,N-dimethyl-N-(3-sulfopropyl)-, inner salt (CAS NO.2281-11-0):
Empirical Formula: C21H45NO3S
Molecular Weight: 391.6519 g/mol
EINECS of 1-Hexadecanaminium,N,N-dimethyl-N-(3-sulfopropyl)-, inner salt (CAS NO.2281-11-0): 218-918-7
Storage temp. of 1-Hexadecanaminium,N,N-dimethyl-N-(3-sulfopropyl)-, inner salt (CAS NO.2281-11-0): 2-8°C
Canonical SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
InChI: InChI=1S/C21H45NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(2,3)20-18-21-26(23,24)25/h4-21H2,1-3H3
InChIKey: TUBRCQBRKJXJEA-UHFFFAOYSA-N
3-(N,N-Dimethylpalmitylammonio)propanesulfonate Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
3-(N,N-Dimethylpalmitylammonio)propanesulfonate Specification
1-Hexadecanaminium,N,N-dimethyl-N-(3-sulfopropyl)-, inner salt , its cas register number is 2281-11-0. It also can be called 3-(N,N-Dimethylpalmitylammonio)propanesulfonate ; 3-(Hexadecyl-dimethylazaniumyl)propane-1-sulfonate ; 3-(Palmityldimethylammonio)propanesulfonate ; Zwittergent 3-16 ; and Palmityl sulfobetaine .
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