| CAS Number | 1955532-11-2 |
| Catalog Number | AG01C5LQ |
| Chemical Name | 3-[(3-amino-5-methyl-1H-pyrazol-1-yl)methyl]benzoic acid hydrochloride |
| IUPAC Name | 3-[(3-amino-5-methylpyrazol-1-yl)methyl]benzoic acid;hydrochloride |
| InChI | InChI=1S/C12H13N3O2.ClH/c1-8-5-11(13)14-15(8)7-9-3-2-4-10(6-9)12(16)17;/h2-6H,7H2,1H3,(H2,13,14)(H,16,17);1H |
| InChI Key | RASBPINDSYNCCJ-UHFFFAOYSA-N |
| MDL Number | MFCD29991420 |
| Molecular Formula | C12H14ClN3O2 |
| Molecular Weight | 267.7115 |
| SMILES | Cl.CC1N(CC2=CC(C(O)=O)=CC=C2)N=C(N)C=1 |
| Synonyms | 3-[(3-amino-5-methyl-1H-pyrazol-1-yl)methyl]benzoic acid hydrochloride,
1955532-11-2,
Z2465620010,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.713g/mol |
| Monoisotopic Mass | 267.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number