| CAS Number | 20317-32-2 |
| Catalog Number | AG01AG7T(AGN-PC-0NDJ43) |
| Chemical Name | Hexadecyl(2-hydroxyethyl)dimethylazanium bromide |
| IUPAC Name | hexadecyl-(2-hydroxyethyl)-dimethylazanium;bromide |
| InChI | InChI=1S/C20H44NO.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,3)19-20-22;/h22H,4-20H2,1-3H3;1H/q+1;/p-1 |
| InChI Key | GGDGVDMTSZPOIB-UHFFFAOYSA-M |
| MDL Number | MFCD00541793 |
| Molecular Formula | C20H44BrNO |
| Molecular Weight | 394.4735 |
| SMILES | [Br-].CCCCCCCCCCCCCCCC[N+](CCO)(C)C |
| Synonyms | hexadecyl(2-hydroxyethyl)dimethylazanium bromide,
20317-32-2,
C20H44BrNO,
SCHEMBL313834,
CHEMBL347545,
GGDGVDMTSZPOIB-UHFFFAOYSA-M,
AKOS032391680,
MCULE-2427331467,
cetyldimethyl(2-hydroxyethyl)ammonium bromide,
dimethyl-(2-hydroxy)ethyl-hexadecyl ammonium bromide,
dimethyl-(2-hydroxy)ethylhexadecyl ammonium bromide,
CID10960220,
Hexadecyl-(2-hydroxyethyl)-dimethyl-azanium Bromide,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 393.261g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 394.482g/mol |
| Monoisotopic Mass | 393.261g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number