| CAS Number | 641571-21-3 |
| Catalog Number | AG00IBBQ(AGN-PC-01XPEF) |
| Chemical Name | Benzenamine, 3-(4-methyl-1-piperazinyl)-5-(trifluoromethyl)- |
| IUPAC Name | 3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)aniline |
| InChI | InChI=1S/C12H16F3N3/c1-17-2-4-18(5-3-17)11-7-9(12(13,14)15)6-10(16)8-11/h6-8H,2-5,16H2,1H3 |
| InChI Key | QMQZJKBZHXMSNK-UHFFFAOYSA-N |
| MDL Number | MFCD15524510 |
| Molecular Formula | C12H16F3N3 |
| Molecular Weight | 259.2707 |
| SMILES | CN1CCN(CC1)C=1C=C(N)C=C(C1)C(F)(F)F |
| Synonyms | 641571-21-3,
3-(4-METHYLPIPERAZIN-1-YL)-5-(TRIFLUOROMETHYL)ANILINE,
3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzenamine,
SCHEMBL273503,
3-(4-Methyl-1-piperazinyl)-5-(trifluoromethyl)benzenamine,
QMQZJKBZHXMSNK-UHFFFAOYSA-N,
MFCD15524510,
ZINC95831364,
AKOS027254783,
AS-42277,
DA-04812,
SC-55346,
3-(4-Methyl-piperazin-1-yl)-5-trifluoromethyl-phen,
3-(4-methyl-1-piperazinyl)-5-(trifluoromethyl)-benzenamine,
3-(4-Methyl-piperazin-1-yl)-5-trifluoromethyl-phenylamine,
Benzenamine, 3-(4-methyl-1-piperazinyl)-5-(trifluoromethyl)-,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.276g/mol |
| Monoisotopic Mass | 259.13g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number