| CAS Number | 1052547-29-1 |
| Catalog Number | AG019M4O |
| Chemical Name | methyl({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl})amine hydrochloride |
| IUPAC Name | N-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C15H15N3S.ClH/c1-16-10-12-11-18(13-6-3-2-4-7-13)17-15(12)14-8-5-9-19-14;/h2-9,11,16H,10H2,1H3;1H |
| InChI Key | GQMRJOBNKNJNJP-UHFFFAOYSA-N |
| MDL Number | MFCD08239628 |
| Molecular Formula | C15H16ClN3S |
| Molecular Weight | 305.8256 |
| SMILES | Cl.CNCC1C(C2SC=CC=2)=NN(C2=CC=CC=C2)C=1 |
| Synonyms | methyl({[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl})amine hydrochloride,
1052547-29-1,
MCULE-9542584546,
NE37428,
EN300-34604,
Z172492276,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.824g/mol |
| Monoisotopic Mass | 305.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number