| CAS Number | 1171852-57-5 |
| Catalog Number | AG019UCY |
| Chemical Name | 4-{[(2,2,2-trifluoroethyl)amino]methyl}benzonitrile hydrochloride |
| IUPAC Name | 4-[(2,2,2-trifluoroethylamino)methyl]benzonitrile;hydrochloride |
| InChI | InChI=1S/C10H9F3N2.ClH/c11-10(12,13)7-15-6-9-3-1-8(5-14)2-4-9;/h1-4,15H,6-7H2;1H |
| InChI Key | HRSHLAIBWWQLKS-UHFFFAOYSA-N |
| MDL Number | MFCD11768314 |
| Molecular Formula | C10H10ClF3N2 |
| Molecular Weight | 250.6480 |
| SMILES | Cl.FC(CNCC1=CC=C(C#N)C=C1)(F)F |
| Synonyms | 4-{[(2,2,2-trifluoroethyl)amino]methyl}benzonitrile hydrochloride,
1171852-57-5,
EN300-41287,
AC1Q3C8W,
CTK7C7795,
AKOS008066921,
MCULE-3379495825,
NE35799,
4-([(2,2,2-trifluoroethyl)amino]methyl)benzonitrile hydrochloride,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.649g/mol |
| Monoisotopic Mass | 250.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number