| CAS Number | 782504-66-9 |
| Catalog Number | AG008N79(AGN-PC-01A9DF) |
| Chemical Name | 2-(3-Trifluoromethyl-benzyl)-piperidine hydrochloride |
| IUPAC Name | 2-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride |
| InChI | InChI=1S/C13H16F3N.ClH/c14-13(15,16)11-5-3-4-10(8-11)9-12-6-1-2-7-17-12;/h3-5,8,12,17H,1-2,6-7,9H2;1H |
| InChI Key | NHFRESSJJYDIME-UHFFFAOYSA-N |
| MDL Number | MFCD08669732 |
| Molecular Formula | C13H17ClF3N |
| Molecular Weight | 279.7290 |
| SMILES | FC(c1cccc(c1)CC1CCCC[NH2+]1)(F)F.[Cl-] |
| Synonyms | 2-(3-Trifluoromethyl-benzyl)-piperidine hydrochloride,
782504-66-9,
CTK8E3382,
BP072,
MFCD08669732,
AB46068,
PC404535,
T6662,
2-(3-Trifluoromethylbenzyl)piperidine hydrochloride,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.731g/mol |
| Monoisotopic Mass | 279.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number