| CAS Number | 1215571-09-7 |
| Catalog Number | AG01EJC1(AGN-PC-0WBE13) |
| Chemical Name | 1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-amine hydrochloride |
| IUPAC Name | 1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C12H15N3.ClH/c1-9(13)12-8-14-15(10(12)2)11-6-4-3-5-7-11;/h3-9H,13H2,1-2H3;1H |
| InChI Key | ZSZWBXNLYGXEJU-UHFFFAOYSA-N |
| MDL Number | MFCD25974902 |
| Molecular Formula | C12H16ClN3 |
| Molecular Weight | 237.7285 |
| SMILES | Cl.CC(C1=C(C)N(C2=CC=CC=C2)N=C1)N |
| Synonyms | 1215571-09-7,
AKOS024397381,
MCULE-6240230421,
1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-amine hydrochloride,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.731g/mol |
| Monoisotopic Mass | 237.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number