| CAS Number | 927986-36-5 |
| Catalog Number | AG01DWV6 |
| Chemical Name | 2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-amine |
| IUPAC Name | 2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanamine |
| InChI | InChI=1S/C6H8F3N3/c1-12-3-2-11-5(12)4(10)6(7,8)9/h2-4H,10H2,1H3 |
| InChI Key | XRAVJQYOGWFJLO-UHFFFAOYSA-N |
| MDL Number | MFCD09261517 |
| Molecular Formula | C6H8F3N3 |
| Molecular Weight | 179.143 |
| SMILES | CN1C(C(C(F)(F)F)N)=NC=C1 |
| Synonyms | 2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-amine,
927986-36-5,
AKOS002671662,
AKOS016044946,
|
| 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 | 0.1 |
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Certificate of Analysis
Lot Number