| CAS Number | 120095-52-5 |
| Catalog Number | AG01AFN0(AGN-PC-0PE7YC) |
| Chemical Name | 2-amino-3-(4-methyl-1H-pyrazol-1-yl)propanoic acid hydrochloride |
| IUPAC Name | 2-amino-3-(4-methylpyrazol-1-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C7H11N3O2.ClH/c1-5-2-9-10(3-5)4-6(8)7(11)12;/h2-3,6H,4,8H2,1H3,(H,11,12);1H |
| InChI Key | YGUYCUDFDGECEM-UHFFFAOYSA-N |
| MDL Number | MFCD27500927 |
| Molecular Formula | C7H12ClN3O2 |
| Molecular Weight | 205.6421 |
| SMILES | Cl.CC1=CN(CC(C(O)=O)N)N=C1 |
| Synonyms | 2-amino-3-(4-methyl-1H-pyrazol-1-yl)propanoic acid hydrochloride,
120095-52-5,
AKOS026728329,
MCULE-6388981895,
Z1737940744,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.642g/mol |
| Monoisotopic Mass | 205.062g/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