| CAS Number | 1235441-46-9 |
| Catalog Number | AG019Y66 |
| Chemical Name | 2-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]ethan-1-amine hydrochloride |
| IUPAC Name | 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanamine;hydrochloride |
| InChI | InChI=1S/C17H16ClN3.ClH/c18-15-8-6-13(7-9-15)17-14(10-11-19)12-21(20-17)16-4-2-1-3-5-16;/h1-9,12H,10-11,19H2;1H |
| InChI Key | PFYMRIKFLTXRPP-UHFFFAOYSA-N |
| MDL Number | MFCD14705671 |
| Molecular Formula | C17H17Cl2N3 |
| Molecular Weight | 334.2430 |
| SMILES | Cl.NCCC1C(C2=CC=C(Cl)C=C2)=NN(C2=CC=CC=C2)C=1 |
| Synonyms | 2-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]ethan-1-amine hydrochloride,
1235441-46-9,
AC1Q3DAR,
CTK7E7591,
AKOS033199415,
MCULE-1524830987,
NE39522,
EN300-57183,
Z1258842288,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.244g/mol |
| Monoisotopic Mass | 333.08g/mol |
| Rotatable Bond Count | 4 |
| 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