| CAS Number | 1239160-81-6 |
| Catalog Number | AG01BVJQ(AGN-PC-0WCOGH) |
| Chemical Name | 3-methyl-4-(4-methylphenyl)-1H-pyrazol-5-amine hydrochloride |
| IUPAC Name | 5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-amine;hydrochloride |
| InChI | InChI=1S/C11H13N3.ClH/c1-7-3-5-9(6-4-7)10-8(2)13-14-11(10)12;/h3-6H,1-2H3,(H3,12,13,14);1H |
| InChI Key | BXADVNCZRAEKBL-UHFFFAOYSA-N |
| MDL Number | MFCD16661079 |
| Molecular Formula | C11H14ClN3 |
| Molecular Weight | 223.7020 |
| SMILES | Cl.CC1C(C2=CC=C(C)C=C2)=C(N)NN=1 |
| Synonyms | 3-methyl-4-(4-methylphenyl)-1H-pyrazol-5-amine hydrochloride,
1239160-81-6,
AKOS026677212,
MCULE-5163165511,
3-methyl-4-(p-tolyl)-1H-pyrazol-5-amine hydrochloride,
F3379-0325,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.704g/mol |
| Monoisotopic Mass | 223.088g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number