| CAS Number | 2110133-57-6 |
| Catalog Number | AG01EJUD |
| Chemical Name | 3-(cyclopropylamino)-4,4,4-trifluorobutanenitrile |
| IUPAC Name | 3-(cyclopropylamino)-4,4,4-trifluorobutanenitrile |
| InChI | InChI=1S/C7H9F3N2/c8-7(9,10)6(3-4-11)12-5-1-2-5/h5-6,12H,1-3H2 |
| InChI Key | KLRUIZKBNUZBKN-UHFFFAOYSA-N |
| MDL Number | MFCD31380945 |
| Molecular Formula | C7H9F3N2 |
| Molecular Weight | 178.155 |
| SMILES | FC(C(NC1CC1)CC#N)(F)F |
| Synonyms | 3-(cyclopropylamino)-4,4,4-trifluorobutanenitrile,
2110133-57-6,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.158g/mol |
| Monoisotopic Mass | 178.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number