| CAS Number | 61995-15-1 |
| Catalog Number | AG00IAY9(AGN-PC-0NII8V) |
| Chemical Name | 1-Benzyl-3-(benzyloxy)-1,2,5,6-tetrahydropyridine |
| IUPAC Name | 1-benzyl-5-phenylmethoxy-3,6-dihydro-2H-pyridine |
| InChI | InChI=1S/C19H21NO/c1-3-8-17(9-4-1)14-20-13-7-12-19(15-20)21-16-18-10-5-2-6-11-18/h1-6,8-12H,7,13-16H2 |
| InChI Key | WKMTXDBUDKSLHT-UHFFFAOYSA-N |
| MDL Number | MFCD16620227 |
| Molecular Formula | C19H21NO |
| Molecular Weight | 279.3761 |
| SMILES | c1ccc(cc1)COC1=CCCN(C1)Cc1ccccc1 |
| Synonyms | 1-Benzyl-3-(benzyloxy)-1,2,5,6-tetrahydropyridine,
61995-15-1,
1-Benzyl-5-(benzyloxy)-1,2,3,6-tetrahydropyridine,
SCHEMBL4081354,
WKMTXDBUDKSLHT-UHFFFAOYSA-N,
MFCD16620227,
ZINC98213372,
AKOS027254726,
Benzyl-1,2,5,6-tetrahydro-3-pyridyl benzyl ether,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.383g/mol |
| Monoisotopic Mass | 279.162g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number