| CAS Number | 1212326-23-2 |
| Catalog Number | AG019QP7 |
| Chemical Name | (2S)-2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid hydrochloride |
| IUPAC Name | (2S)-2-amino-3-(benzotriazol-1-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C9H10N4O2.ClH/c10-6(9(14)15)5-13-8-4-2-1-3-7(8)11-12-13;/h1-4,6H,5,10H2,(H,14,15);1H/t6-;/m0./s1 |
| InChI Key | WKLPEOGJNGRKID-RGMNGODLSA-N |
| MDL Number | MFCD09971775 |
| Molecular Formula | C9H11ClN4O2 |
| Molecular Weight | 242.6622 |
| SMILES | Cl.N[C@H](C(O)=O)CN1C2=C(C=CC=C2)N=N1 |
| Synonyms | (2S)-2-amino-3-(1H-1,2,3-benzotriazol-1-yl)propanoic acid hydrochloride,
EN300-88120,
CTK7I3529,
1212326-23-2,
AKOS032470222,
F8887-9216,
AC1Q3CIE,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.057053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.66g/mol |
| Monoisotopic Mass | 242.057053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number