| CAS Number | 1040043-27-3 |
| Catalog Number | AG01A90Z |
| Chemical Name | N1-ethyl-3-(trifluoromethyl)benzene-1,4-diamine |
| IUPAC Name | 4-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine |
| InChI | InChI=1S/C9H11F3N2/c1-2-14-6-3-4-8(13)7(5-6)9(10,11)12/h3-5,14H,2,13H2,1H3 |
| InChI Key | SGZFOKFZGQSKFJ-UHFFFAOYSA-N |
| MDL Number | MFCD11186959 |
| Molecular Formula | C9H11F3N2 |
| Molecular Weight | 204.1922 |
| SMILES | CCNC1=CC(C(F)(F)F)=C(N)C=C1 |
| Synonyms | 1-N-ethyl-3-(trifluoromethyl)benzene-1,4-diamine,
1040043-27-3,
N1-ethyl-3-(trifluoromethyl)benzene-1,4-diamine,
ZINC20381714,
AKOS009237387,
MCULE-4780276698,
NE15078,
EN300-63926,
Z234895861,
AC1Q31GK,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.087433g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.19g/mol |
| Monoisotopic Mass | 204.087433g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number