| CAS Number | 1170296-36-2 |
| Catalog Number | AG019N27 |
| Chemical Name | Butyl(2,2,2-trifluoroethyl)amine hydrochloride |
| IUPAC Name | N-(2,2,2-trifluoroethyl)butan-1-amine;hydrochloride |
| InChI | InChI=1S/C6H12F3N.ClH/c1-2-3-4-10-5-6(7,8)9;/h10H,2-5H2,1H3;1H |
| InChI Key | FMLMUMIQZZHYNX-UHFFFAOYSA-N |
| MDL Number | MFCD11099658 |
| Molecular Formula | C6H13ClF3N |
| Molecular Weight | 191.6223 |
| SMILES | Cl.CCCCNCC(F)(F)F |
| Synonyms | butyl(2,2,2-trifluoroethyl)amine hydrochloride,
1170296-36-2,
N-(2,2,2-trifluoroethyl)butan-1-amine hydrochloride,
AC1Q39PM,
CTK6E2917,
AKOS008054700,
MCULE-9410385851,
NE14894,
EN300-39202,
|
| Complexity | 79.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.622g/mol |
| Monoisotopic Mass | 191.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number