| CAS Number | 1314904-42-1 |
| Catalog Number | AG018S6R(AGN-PC-0WOSXP) |
| Chemical Name | 2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-amine |
| IUPAC Name | 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine |
| InChI | InChI=1S/C6H8F3N3/c7-6(8,9)5-4(1-2-10)3-11-12-5/h3H,1-2,10H2,(H,11,12) |
| InChI Key | IPZKOONQYJGHSW-UHFFFAOYSA-N |
| MDL Number | MFCD09924709 |
| Molecular Formula | C6H8F3N3 |
| Molecular Weight | 179.1430 |
| SMILES | NCCC1C(C(F)(F)F)=NNC=1 |
| Synonyms | 2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-amine,
1314904-42-1,
SCHEMBL8802637,
ZINC44372964,
AKOS006283286,
VS-0202,
CS-0080487,
2-(3-(Trifluoromethyl)-1H-pyrazol-4-yl)ethanamine,
F8888-1210,
Z2327883811,
|
| Complexity | 148 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.146g/mol |
| Monoisotopic Mass | 179.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number