| CAS Number | 778642-53-8 |
| Catalog Number | AG00G9M9(AGN-PC-01P4TX) |
| Chemical Name | 4-[4-(Benzyloxy)phenyl]-1,2,3,6-tetrahydropyridine |
| IUPAC Name | 4-(4-phenylmethoxyphenyl)-1,2,3,6-tetrahydropyridine |
| InChI | InChI=1S/C18H19NO/c1-2-4-15(5-3-1)14-20-18-8-6-16(7-9-18)17-10-12-19-13-11-17/h1-10,19H,11-14H2 |
| InChI Key | CCWCFKPGSZQLMX-UHFFFAOYSA-N |
| MDL Number | MFCD09805869 |
| Molecular Formula | C18H19NO |
| Molecular Weight | 265.3496 |
| SMILES | N1CCC(=CC1)c1ccc(cc1)OCc1ccccc1 |
| Synonyms | 4-[4-(BENZYLOXY)PHENYL]-1,2,3,6-TETRAHYDROPYRIDINE,
778642-53-8,
SCHEMBL4672600,
CTK7D1424,
CCWCFKPGSZQLMX-UHFFFAOYSA-N,
KM3544,
ZINC19399986,
AKOS000161693,
MCULE-9740223491,
V7743,
Z1551900865,
4-{4-[(Phenylmethyl)oxy]phenyl}-1,2,3,6-tetrahydropyridine,
C18H19NO,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.356g/mol |
| Monoisotopic Mass | 265.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number