| CAS Number | 1390654-01-9 |
| Catalog Number | AG00HVCS(AGN-PC-0WB76Y) |
| Chemical Name | methyl 2-(methylamino)butanoate hydrochloride |
| IUPAC Name | methyl 2-(methylamino)butanoate;hydrochloride |
| InChI | InChI=1S/C6H13NO2.ClH/c1-4-5(7-2)6(8)9-3;/h5,7H,4H2,1-3H3;1H |
| InChI Key | ASOJIUMAOMSETO-UHFFFAOYSA-N |
| MDL Number | MFCD22123354 |
| Molecular Formula | C6H14ClNO2 |
| Molecular Weight | 167.6339 |
| SMILES | C(OC)(C(CC)NC)=O.Cl |
| Synonyms | Methyl 2-(methylamino)butanoate hydrochloride,
1390654-01-9,
methyl (2S)-2-(methylamino)butanoate hydrochloride,
136120-69-9,
MFCD22123354,
AKOS026730104,
MCULE-3478855741,
T5231,
Z1770192987,
Methyl 2-(methylamino)butanoate hydrochloride, AldrichCPR,
|
| Complexity | 93.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.633g/mol |
| Monoisotopic Mass | 167.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number