| CAS Number | 83674-77-5 |
| Catalog Number | AG01A6QH(AGN-PC-02V1ST) |
| Chemical Name | 4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine hydrochloride |
| IUPAC Name | 4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride |
| InChI | InChI=1S/C12H15N.ClH/c1-10-4-2-3-5-12(10)11-6-8-13-9-7-11;/h2-6,13H,7-9H2,1H3;1H |
| InChI Key | BTBHPEPDBJEDRI-UHFFFAOYSA-N |
| MDL Number | MFCD25970398 |
| Molecular Formula | C12H16ClN |
| Molecular Weight | 209.7151 |
| SMILES | Cl.CC1=C(C=CC=C1)C=1CCNCC1 |
| Synonyms | 4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine hydrochloride,
83674-77-5,
SCHEMBL9530706,
AKOS026741635,
NE45023,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.717g/mol |
| Monoisotopic Mass | 209.097g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number