| CAS Number | 1396966-78-1 |
| Catalog Number | AG019V3D(AGN-PC-0WORPD) |
| Chemical Name | 2-[(propan-2-yl)amino]propanoic acid hydrochloride |
| IUPAC Name | 2-(propan-2-ylamino)propanoic acid;hydrochloride |
| InChI | InChI=1S/C6H13NO2.ClH/c1-4(2)7-5(3)6(8)9;/h4-5,7H,1-3H3,(H,8,9);1H |
| InChI Key | DGWIWHNXEDBUAB-UHFFFAOYSA-N |
| MDL Number | MFCD11858113 |
| Molecular Formula | C6H14ClNO2 |
| Molecular Weight | 167.6339 |
| SMILES | Cl.CC(NC(C(O)=O)C)C |
| Synonyms | 2-[(propan-2-yl)amino]propanoic acid hydrochloride,
1396966-78-1,
Z449368966,
2-(propan-2-ylamino)propanoic acid hydrochloride,
AC1Q393X,
SCHEMBL16899710,
CTK6A3418,
AKOS026741926,
MCULE-5184634957,
NE35928,
EN300-43608,
|
| Complexity | 101 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.633g/mol |
| Monoisotopic Mass | 167.071g/mol |
| Rotatable Bond Count | 3 |
| 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