| CAS Number | 1170012-74-4 |
| Catalog Number | AG019Z2I(AGN-PC-0WODI2) |
| Chemical Name | 3-[(3,3,3-Trifluoropropyl)amino]propanenitrile |
| IUPAC Name | 3-(3,3,3-trifluoropropylamino)propanenitrile |
| InChI | InChI=1S/C6H9F3N2/c7-6(8,9)2-5-11-4-1-3-10/h11H,1-2,4-5H2 |
| InChI Key | CPCMSNMGEMRMFF-UHFFFAOYSA-N |
| MDL Number | MFCD18262893 |
| Molecular Formula | C6H9F3N2 |
| Molecular Weight | 166.1443 |
| SMILES | FC(CCNCCC#N)(F)F |
| Synonyms | 3-[(3,3,3-trifluoropropyl)amino]propanenitrile,
1170012-74-4,
SCHEMBL1726355,
ZINC59313313,
AKOS009082026,
MCULE-9928017368,
NE45885,
RP22874,
Z161768324,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.147g/mol |
| Monoisotopic Mass | 166.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number