| CAS Number | 886762-54-5 |
| Catalog Number | AG00GRXZ(AGN-PC-0WQYDG) |
| Chemical Name | 1-(2-(Trifluoromethoxy)benzyl)piperazine |
| IUPAC Name | 1-[[2-(trifluoromethoxy)phenyl]methyl]piperazine |
| InChI | InChI=1S/C12H15F3N2O/c13-12(14,15)18-11-4-2-1-3-10(11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2 |
| InChI Key | AWMKJBNANKOBIA-UHFFFAOYSA-N |
| MDL Number | MFCD07368743 |
| Molecular Formula | C12H15F3N2O |
| Molecular Weight | 260.2555 |
| SMILES | FC(OC1=C(CN2CCNCC2)C=CC=C1)(F)F |
| Synonyms | 1-[2-(Trifluoromethoxy)benzyl]piperazine,
886762-54-5,
1-[[2-(trifluoromethoxy)phenyl]methyl]piperazine,
1-{[2-(trifluoromethoxy)phenyl]methyl}piperazine,
AC1MD34G,
SCHEMBL19974180,
CTK7B7575,
KS-00003QRT,
KM2719,
MFCD07368743,
SBB102314,
ZINC22942234,
AKOS009157885,
PS-6416,
RT-006467,
trifluoro[2-(piperazinylmethyl)phenoxy]methane,
CID2782802,
1-[2-(Trifluoromethoxy)benzyl]piperazine 2HCl,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.26g/mol |
| Monoisotopic Mass | 260.114g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 24.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number