| CAS Number | 1185532-72-2 |
| Catalog Number | AG0099LQ(AGN-PC-09TQOH) |
| Chemical Name | [1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine |
| IUPAC Name | [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine |
| InChI | InChI=1S/C6H8F3N3/c1-12-3-4(2-10)5(11-12)6(7,8)9/h3H,2,10H2,1H3 |
| InChI Key | QGLGYTXANSSOOG-UHFFFAOYSA-N |
| MDL Number | MFCD12403325 |
| Molecular Formula | C6H8F3N3 |
| Molecular Weight | 179.1430 |
| SMILES | CN1N=C(C(F)(F)F)C(CN)=C1 |
| Synonyms | 1185532-72-2,
[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine,
(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine,
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-methanamine,
ZINC40538468,
AKOS022808738,
NE29927,
Z2180,
[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine,
F8889-0322,
C6H8F3N3,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.146g/mol |
| Monoisotopic Mass | 179.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number