13177-41-8
Product Name:
3-(Dimethyloctadecylazaniumyl)propane-1-sulfonate
Formula:
C23H49NO3S
Synonyms:
N-Octadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate;3-(N,N-Dimethylstearylammonio)propanesulfonate;3-(Stearyl-dimethylammonio)propanesulfonate;SB3-18;Stearyl sulfobetaine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Beige hygroscopic powder; [Sigma-Aldrich MSDS] |
|---|---|
| Chemical Classes | Nitrogen Compounds -> Quaternary Amines |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 419.7 g/mol |
|---|---|
| XLogP3 | 8.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 20 |
| Exact Mass | 419.34331560 g/mol |
| Monoisotopic Mass | 419.34331560 g/mol |
| Topological Polar Surface Area | 65.6 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 416 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |