| CAS Number | 1016719-02-0 |
| Catalog Number | AG019W0W(AGN-PC-0WO8TQ) |
| Chemical Name | 4-(2,2,2-Trifluoroethoxy)butan-1-amine |
| IUPAC Name | 4-(2,2,2-trifluoroethoxy)butan-1-amine |
| InChI | InChI=1S/C6H12F3NO/c7-6(8,9)5-11-4-2-1-3-10/h1-5,10H2 |
| InChI Key | IYZCCBQUCASCRV-UHFFFAOYSA-N |
| MDL Number | MFCD09807062 |
| Molecular Formula | C6H12F3NO |
| Molecular Weight | 171.1608 |
| SMILES | NCCCCOCC(F)(F)F |
| Synonyms | 4-(2,2,2-trifluoroethoxy)butan-1-amine,
1016719-02-0,
CTK7E8160,
ZINC19274674,
AKOS000151557,
MCULE-9349705430,
NE56160,
EN300-50083,
AC1Q54GY,
|
| Complexity | 94.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.087098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.16g/mol |
| Monoisotopic Mass | 171.087098g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number