| CAS Number | 955287-70-4 |
| Catalog Number | AG006079(AGN-PC-01A9CE) |
| Chemical Name | 3-(4-Ethyl-benzyl)-piperidine |
| IUPAC Name | 3-[(4-ethylphenyl)methyl]piperidine |
| InChI | InChI=1S/C14H21N/c1-2-12-5-7-13(8-6-12)10-14-4-3-9-15-11-14/h5-8,14-15H,2-4,9-11H2,1H3 |
| InChI Key | YAEHFYBHWGPWTH-UHFFFAOYSA-N |
| MDL Number | MFCD05863600 |
| Molecular Formula | C14H21N |
| Molecular Weight | 203.3232 |
| SMILES | CCC1=CC=C(CC2CNCCC2)C=C1 |
| Synonyms | 3-(4-Ethyl-benzyl)-piperidine,
955287-70-4,
3-(4-ethylbenzyl)piperidine,
CTK5H7798,
DTXSID30588806,
BP046,
MFCD05863600,
AKOS011834975,
AB22603,
OR307732,
3-[(4-ETHYLPHENYL)METHYL]PIPERIDINE,
T6844,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.329g/mol |
| Monoisotopic Mass | 203.167g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number