| CAS Number | 1258640-58-2 |
| Catalog Number | AG01ABG8 |
| Chemical Name | 3-methyl-1-phenyl-1H-pyrazol-5-amine dihydrochloride |
| IUPAC Name | 5-methyl-2-phenylpyrazol-3-amine;dihydrochloride |
| InChI | InChI=1S/C10H11N3.2ClH/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9;;/h2-7H,11H2,1H3;2*1H |
| InChI Key | OTVAWGYLEFOURH-UHFFFAOYSA-N |
| MDL Number | MFCD17977151 |
| Molecular Formula | C10H13Cl2N3 |
| Molecular Weight | 246.1363 |
| SMILES | Cl.Cl.CC1=NN(C2=CC=CC=C2)C(N)=C1 |
| Synonyms | 3-methyl-1-phenyl-1H-pyrazol-5-amine dihydrochloride,
1258640-58-2,
AC1Q3A8P,
NE32184,
EN300-71528,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.135g/mol |
| Monoisotopic Mass | 245.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number