| CAS Number | 1443981-40-5 |
| Catalog Number | AG01A5J2(AGN-PC-0WOBOS) |
| Chemical Name | sodium 4-(methylcarbamoyl)butanoate |
| IUPAC Name | sodium;5-(methylamino)-5-oxopentanoate |
| InChI | InChI=1S/C6H11NO3.Na/c1-7-5(8)3-2-4-6(9)10;/h2-4H2,1H3,(H,7,8)(H,9,10);/q;+1/p-1 |
| InChI Key | PFHOBHLFRQZURX-UHFFFAOYSA-M |
| MDL Number | MFCD24842919 |
| Molecular Formula | C6H10NNaO3 |
| Molecular Weight | 167.1383 |
| SMILES | [Na+].CNC(CCCC([O-])=O)=O |
| Synonyms | sodium 4-(methylcarbamoyl)butanoate,
1443981-40-5,
AKOS026729837,
MCULE-2011311071,
NE17151,
Z1625822283,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.14g/mol |
| Monoisotopic Mass | 167.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 69.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number