| CAS Number | 1311313-54-8 |
| Catalog Number | AG01AHSX(AGN-PC-0WOTAJ) |
| Chemical Name | 2-amino-3-(1-methyl-1H-pyrazol-4-yl)propanoic acid dihydrochloride |
| IUPAC Name | 2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;dihydrochloride |
| InChI | InChI=1S/C7H11N3O2.2ClH/c1-10-4-5(3-9-10)2-6(8)7(11)12;;/h3-4,6H,2,8H2,1H3,(H,11,12);2*1H |
| InChI Key | ZJWIWJBMBHSRTN-UHFFFAOYSA-N |
| MDL Number | MFCD18785585 |
| Molecular Formula | C7H13Cl2N3O2 |
| Molecular Weight | 242.1030 |
| SMILES | Cl.Cl.CN1N=CC(CC(C(O)=O)N)=C1 |
| Synonyms | 2-amino-3-(1-methyl-1H-pyrazol-4-yl)propanoic acid dihydrochloride,
1311313-54-8,
AKOS008110529,
MCULE-1082285581,
NE18992,
EN300-75690,
Z1259335776,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.1g/mol |
| Monoisotopic Mass | 241.038g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number