| CAS Number | 1172932-95-4 |
| Catalog Number | AG008SM4 |
| Chemical Name | 2-(4-Methoxy-3,5-dimethyl-benzyl)-piperidine hydrochloride |
| IUPAC Name | 2-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine;hydrochloride |
| InChI | InChI=1S/C15H23NO.ClH/c1-11-8-13(9-12(2)15(11)17-3)10-14-6-4-5-7-16-14;/h8-9,14,16H,4-7,10H2,1-3H3;1H |
| InChI Key | AGYHVIJEXWDPNN-UHFFFAOYSA-N |
| MDL Number | MFCD08669739 |
| Molecular Formula | C15H24ClNO |
| Molecular Weight | 269.8102 |
| SMILES | COc1c(C)cc(cc1C)CC1CCCCN1.Cl |
| Synonyms | 2-(4-Methoxy-3,5-dimethyl-benzyl)-piperidine hydrochloride,
1172932-95-4,
2-(4-Methoxy-3,5-dimethylbenzyl)piperidine hydrochloride,
DTXSID90588847,
BP079,
MFCD08669739,
AB46078,
OR307745,
T6230,
2-[(4-Methoxy-3,5-dimethylphenyl)methyl]piperidine--hydrogen chloride (1/1),
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.155g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.813g/mol |
| Monoisotopic Mass | 269.155g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number