| CAS Number | 1172908-58-5 |
| Catalog Number | AG00937Y(AGN-PC-0WQXH6) |
| Chemical Name | 4-(3,4-Dimethoxybenzyl)piperidine hydrochloride |
| IUPAC Name | 4-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride |
| InChI | InChI=1S/C14H21NO2.ClH/c1-16-13-4-3-12(10-14(13)17-2)9-11-5-7-15-8-6-11;/h3-4,10-11,15H,5-9H2,1-2H3;1H |
| InChI Key | NUBLIXQELXNNBA-UHFFFAOYSA-N |
| MDL Number | MFCD10703300 |
| Molecular Formula | C14H22ClNO2 |
| Molecular Weight | 271.7830 |
| SMILES | Cl.COC1=C(OC)C=C(CC2CCNCC2)C=C1 |
| Synonyms | 1172908-58-5,
4-(3,4-Dimethoxybenzyl)piperidine hydrochloride,
4-(3,4-Dimethoxy-benzyl)-piperidine hydrochloride,
DTXSID60656567,
OR307722,
T6228,
4-[(3,4-Dimethoxyphenyl)methyl]piperidine HCl,
4-[(3,4-Dimethoxyphenyl)methyl]piperidine--hydrogen chloride (1/1),
121278-66-8,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.785g/mol |
| Monoisotopic Mass | 271.134g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number