| CAS Number | 853296-94-3 |
| Catalog Number | AG004LLF(AGN-PC-03ZASN) |
| Chemical Name | Benzenamine, 3-[(4-methyl-1-piperazinyl)methyl]-5-(trifluoromethyl)- |
| IUPAC Name | 3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline |
| InChI | InChI=1S/C13H18F3N3/c1-18-2-4-19(5-3-18)9-10-6-11(13(14,15)16)8-12(17)7-10/h6-8H,2-5,9,17H2,1H3 |
| InChI Key | DYBVNOUCRJYHCQ-UHFFFAOYSA-N |
| MDL Number | MFCD26394900 |
| Molecular Formula | C13H18F3N3 |
| Molecular Weight | 273.2973 |
| SMILES | CN1CCN(CC1)Cc1cc(N)cc(c1)C(F)(F)F |
| Synonyms | 853296-94-3,
3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)aniline,
Benzenamine, 3-[(4-methyl-1-piperazinyl)methyl]-5-(trifluoromethyl)-,
3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline,
SCHEMBL545449,
CTK3C8942,
DTXSID10631061,
DYBVNOUCRJYHCQ-UHFFFAOYSA-N,
3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoro-methyl)aniline,
MFCD26394900,
ZINC59828549,
AKOS027324919,
AS-48544,
3-(4-Methylpiperazin-1-yl)methyl-5-trifluoromethylaniline,
3-(4-methylpiperazin-1-ylmethyl)-5-trifluoromethyl-aniline,
n-(1h-indazol-5-yl)-6-nitro-2-phenyl-4-quinazolinamine,
3-(4-methylpiperazin-1-ylmethyl)-5-(trifluoromethyl)aniline,
3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)-benzenamine,
[3-[(4-Methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]amine,
461037-31-0,
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| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.303g/mol |
| Monoisotopic Mass | 273.145g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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