| CAS Number | 143017-63-4 |
| Catalog Number | AG00A09W(AGN-PC-03BE4D) |
| Chemical Name | 4-(4-Methoxyphenyl)-1,2,3,6-tetrahydropyridine hydrochloride |
| IUPAC Name | 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride |
| InChI | InChI=1S/C12H15NO.ClH/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11;/h2-6,13H,7-9H2,1H3;1H |
| InChI Key | REHFBEFMGKEPIU-UHFFFAOYSA-N |
| MDL Number | MFCD18089399 |
| Molecular Formula | C12H16ClNO |
| Molecular Weight | 225.7145 |
| SMILES | COC1=CC=C(C2=CCNCC2)C=C1.[H]Cl |
| Synonyms | 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine hydrochloride,
143017-63-4,
AC1Q3C2U,
SCHEMBL6739875,
REHFBEFMGKEPIU-UHFFFAOYSA-N,
MFCD18089399,
AKOS026742605,
SC-87245,
EN300-71608,
4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine hyd,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.716g/mol |
| Monoisotopic Mass | 225.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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