| CAS Number | 782504-70-5 |
| Catalog Number | AG0054AH(AGN-PC-009ITQ) |
| Chemical Name | 4-(3-Ethoxy-benzyl)-piperidine |
| IUPAC Name | 4-[(3-ethoxyphenyl)methyl]piperidine |
| InChI | InChI=1S/C14H21NO/c1-2-16-14-5-3-4-13(11-14)10-12-6-8-15-9-7-12/h3-5,11-12,15H,2,6-10H2,1H3 |
| InChI Key | KOHPQSOFWQDMMT-UHFFFAOYSA-N |
| MDL Number | MFCD05863574 |
| Molecular Formula | C14H21NO |
| Molecular Weight | 219.3226 |
| SMILES | CCOC1=CC(CC2CCNCC2)=CC=C1 |
| Synonyms | 4-(3-Ethoxy-benzyl)-piperidine,
782504-70-5,
Piperidine,4-[(3-ethoxyphenyl)methyl]-,
4-(3-ethoxybenzyl)piperidine,
CTK5E5588,
DTXSID70466533,
ZINC2555439,
MFCD05863574,
AKOS017390836,
AB22537,
OR307715,
BC4526309,
RT-009158,
T6664,
4-[(3-ethoxyphenyl)methyl]piperidine,
CID11458659,
Piperidine, 4-[(3-ethoxyphenyl)methyl]- (9CI),
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.328g/mol |
| Monoisotopic Mass | 219.162g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number