| CAS Number | 1803562-12-0 |
| Catalog Number | AG01B1JE(AGN-PC-0WOTE6) |
| Chemical Name | 2-[(propan-2-yl)amino]butanoic acid hydrochloride |
| IUPAC Name | 2-(propan-2-ylamino)butanoic acid;hydrochloride |
| InChI | InChI=1S/C7H15NO2.ClH/c1-4-6(7(9)10)8-5(2)3;/h5-6,8H,4H2,1-3H3,(H,9,10);1H |
| InChI Key | MHAMDFCKOSUIMK-UHFFFAOYSA-N |
| MDL Number | MFCD28012217 |
| Molecular Formula | C7H16ClNO2 |
| Molecular Weight | 181.6604 |
| SMILES | Cl.CCC(C(O)=O)NC(C)C |
| Synonyms | 2-[(propan-2-yl)amino]butanoic acid hydrochloride,
1803562-12-0,
AKOS026743084,
Z2326989482,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.66g/mol |
| Monoisotopic Mass | 181.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number