| CAS Number | 52562-29-5 |
| Catalog Number | AG00DKWS(AGN-PC-0LM2B7) |
| Chemical Name | ASB-16 |
| IUPAC Name | 3-[3-(hexadecanoylamino)propyl-dimethylazaniumyl]propane-1-sulfonate |
| InChI | InChI=1S/C24H50N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(27)25-20-17-21-26(2,3)22-18-23-31(28,29)30/h4-23H2,1-3H3,(H-,25,27,28,29,30) |
| InChI Key | CLCSYZQBLQDRQU-UHFFFAOYSA-N |
| MDL Number | MFCD03791122 |
| Molecular Formula | C24H50N2O4S |
| Molecular Weight | 462.7298 |
| SMILES | CCCCCCCCCCCCCCCC(=O)NCCC[N+](CCCS(=O)(=O)[O-])(C)C |
| Synonyms | amidosulfobetaine-16,
ASB-16,
Amidosulfobetain-16,
ASB-16,
52562-29-5,
3-(N N-DIME(3-PALMITOYLAMINOPROPYL)AMMO-,
3-[N,N-Dimethyl(3-palmitoylaminopropyl)ammonio]-propanesulfonate,
3-[N,N-Dimethyl-N-(3-palmitamidopropyl)ammonio]propane-1-sulfonate,
AC1NNEYV,
SCHEMBL1199794,
CTK8F7834,
DTXSID50407989,
MFCD03791122,
ACM52562295,
3-[3-(hexadecanoylamino)propyl-dimethylazaniumyl]propane-1-sulfonate,
3-(NN-DIME AMMO-,
CID5067680,
3-[3-(hexadecanoylamino)propyl-dimethyl-ammonio]propane-1-sulfonate,
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| Complexity | 517 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 462.349g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 462.734g/mol |
| Monoisotopic Mass | 462.349g/mol |
| Rotatable Bond Count | 21 |
| Topological Polar Surface Area | 94.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number