| CAS Number | 1396964-35-4 |
| Catalog Number | AG019VIW(AGN-PC-0WOU2S) |
| Chemical Name | sodium 2-methanesulfonamido-3-methylbutanoate |
| IUPAC Name | sodium;2-(methanesulfonamido)-3-methylbutanoate |
| InChI | InChI=1S/C6H13NO4S.Na/c1-4(2)5(6(8)9)7-12(3,10)11;/h4-5,7H,1-3H3,(H,8,9);/q;+1/p-1 |
| InChI Key | RNKAUJHGDIYBLS-UHFFFAOYSA-M |
| MDL Number | MFCD12197196 |
| Molecular Formula | C6H12NNaO4S |
| Molecular Weight | 217.2185 |
| SMILES | [Na+].CC(C(C([O-])=O)NS(C)(=O)=O)C |
| Synonyms | sodium 2-methanesulfonamido-3-methylbutanoate,
1396964-35-4,
AC1Q1VOG,
CTK6A3578,
AKOS026743546,
NE42699,
EN300-45393,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.215g/mol |
| Monoisotopic Mass | 217.038g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number