| CAS Number | 1087792-17-3 |
| Catalog Number | AG019MQ9 |
| Chemical Name | N-(3-Aminobenzyl)-n-ethyl-2,2,2-trifluoroacetamide |
| IUPAC Name | N-[(3-aminophenyl)methyl]-N-ethyl-2,2,2-trifluoroacetamide |
| InChI | InChI=1S/C11H13F3N2O/c1-2-16(10(17)11(12,13)14)7-8-4-3-5-9(15)6-8/h3-6H,2,7,15H2,1H3 |
| InChI Key | ZIXBGSZHILOFCT-UHFFFAOYSA-N |
| MDL Number | MFCD11099464 |
| Molecular Formula | C11H13F3N2O |
| Molecular Weight | 246.2289 |
| SMILES | CCN(C(C(F)(F)F)=O)CC1=CC(N)=CC=C1 |
| Synonyms | N-[(3-aminophenyl)methyl]-N-ethyl-2,2,2-trifluoroacetamide,
1087792-17-3,
N-(3-aminobenzyl)-N-ethyl-2,2,2-trifluoroacetamide,
AC1Q2ZKP,
CTK6E6680,
ZINC32627120,
AKOS033184886,
MCULE-5969849630,
NE32781,
EN300-36935,
Z1238477852,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.233g/mol |
| Monoisotopic Mass | 246.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number