| CAS Number | 448948-17-2 |
| Catalog Number | AG01C4I2(AGN-PC-0OAHGR) |
| Chemical Name | methyl 2-(aminomethyl)butanoate hydrochloride |
| IUPAC Name | methyl 2-(aminomethyl)butanoate;hydrochloride |
| InChI | InChI=1S/C6H13NO2.ClH/c1-3-5(4-7)6(8)9-2;/h5H,3-4,7H2,1-2H3;1H |
| InChI Key | VSGXDWSIFCRKJY-UHFFFAOYSA-N |
| MDL Number | MFCD29906895 |
| Molecular Formula | C6H14ClNO2 |
| Molecular Weight | 167.6339 |
| SMILES | Cl.CCC(C(OC)=O)CN |
| Synonyms | methyl 2-(aminomethyl)butanoate hydrochloride,
448948-17-2,
SCHEMBL5566160,
Z2412196508,
|
| 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 | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number