| CAS Number | 82278-36-2 |
| Catalog Number | AG019MHJ(AGN-PC-0NGWZ4) |
| Chemical Name | 4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butan-1-amine |
| IUPAC Name | 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-amine |
| InChI | InChI=1S/C15H22F3N3/c16-15(17,18)13-4-3-5-14(12-13)21-10-8-20(9-11-21)7-2-1-6-19/h3-5,12H,1-2,6-11,19H2 |
| InChI Key | VOPRQONKUAZUBX-UHFFFAOYSA-N |
| MDL Number | MFCD10686864 |
| Molecular Formula | C15H22F3N3 |
| Molecular Weight | 301.3505 |
| SMILES | NCCCCN1CCN(C2=CC(C(F)(F)F)=CC=C2)CC1 |
| Synonyms | 4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butan-1-amine,
82278-36-2,
4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butan-1-amine,
SCHEMBL3209307,
CTK7E8088,
VOPRQONKUAZUBX-UHFFFAOYSA-N,
ZINC20283419,
AKOS009254315,
MCULE-1915706549,
NE21475,
DA-02600,
FT-0715506,
EN300-36211,
Z1238477837,
1-(4-aminobutyl)-4-[3-(trifluoromethyl)phenyl]piperazine,
4-[4-(3-trifluoromethylphenyl)piperazine-1-yl]butylamine,
AC1Q54GK,
CID11162411,
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-amine,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.176582g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.35g/mol |
| Monoisotopic Mass | 301.176582g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number