| CAS Number | 1171562-15-4 |
| Catalog Number | AG019MYP |
| Chemical Name | N-(2-Nitrobenzyl)-n-(2,2,2-trifluoroethyl)amine hydrochloride |
| IUPAC Name | 2,2,2-trifluoro-N-[(2-nitrophenyl)methyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C9H9F3N2O2.ClH/c10-9(11,12)6-13-5-7-3-1-2-4-8(7)14(15)16;/h1-4,13H,5-6H2;1H |
| InChI Key | FEKBSAJDRINKOZ-UHFFFAOYSA-N |
| MDL Number | MFCD11099596 |
| Molecular Formula | C9H10ClF3N2O2 |
| Molecular Weight | 270.6361 |
| SMILES | Cl.[O-][N+](C1=C(CNCC(F)(F)F)C=CC=C1)=O |
| Synonyms | [(2-nitrophenyl)methyl](2,2,2-trifluoroethyl)amine hydrochloride,
1171562-15-4,
N-(2-nitrobenzyl)-N-(2,2,2-trifluoroethyl)amine hydrochloride,
AC1Q38JJ,
CTK5I3919,
MCULE-4051246398,
NE14885,
EN300-38960,
Z394693494,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.636g/mol |
| Monoisotopic Mass | 270.038g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number