| CAS Number | 1303889-63-5 |
| Catalog Number | AG01AAHO |
| Chemical Name | 3-tert-butyl-4-methyl-1-phenyl-1H-pyrazol-5-amine hydrochloride |
| IUPAC Name | 5-tert-butyl-4-methyl-2-phenylpyrazol-3-amine;hydrochloride |
| InChI | InChI=1S/C14H19N3.ClH/c1-10-12(14(2,3)4)16-17(13(10)15)11-8-6-5-7-9-11;/h5-9H,15H2,1-4H3;1H |
| InChI Key | QULYHSMFLHKVQF-UHFFFAOYSA-N |
| MDL Number | MFCD18089379 |
| Molecular Formula | C14H20ClN3 |
| Molecular Weight | 265.7817 |
| SMILES | Cl.CC1C(C(C)(C)C)=NN(C2=CC=CC=C2)C=1N |
| Synonyms | 3-tert-butyl-4-methyl-1-phenyl-1H-pyrazol-5-amine hydrochloride,
1303889-63-5,
AC1Q39CY,
MCULE-1242929237,
NE26193,
EN300-68644,
Z1263602446,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.785g/mol |
| Monoisotopic Mass | 265.135g/mol |
| Rotatable Bond Count | 2 |
| 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