| CAS Number | 1152551-09-1 |
| Catalog Number | AG01BF91(AGN-PC-0WODKQ) |
| Chemical Name | 2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine |
| IUPAC Name | 2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine |
| InChI | InChI=1S/C6H8F3N3/c1-12-3-4(2-11-12)5(10)6(7,8)9/h2-3,5H,10H2,1H3 |
| InChI Key | MPDTYUYXTQCMOL-UHFFFAOYSA-N |
| MDL Number | MFCD11193881 |
| Molecular Formula | C6H8F3N3 |
| Molecular Weight | 179.1430 |
| SMILES | CN1N=CC(C(C(F)(F)F)N)=C1 |
| Synonyms | 2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine,
1152551-09-1,
2,2,2-Trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethanamine,
AKOS009255745,
NE28569,
F8881-7320,
Z2048193272,
|
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number