| CAS Number | 488856-76-4 |
| Catalog Number | AG00J14V(AGN-PC-07A7Y7) |
| Chemical Name | 3-(o-Tolyl)piperidine hydrochloride |
| IUPAC Name | 3-(2-methylphenyl)piperidine;hydrochloride |
| InChI | InChI=1S/C12H17N.ClH/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11;/h2-3,5,7,11,13H,4,6,8-9H2,1H3;1H |
| InChI Key | BHLYXIANQPHIQN-UHFFFAOYSA-N |
| MDL Number | MFCD02178939 |
| Molecular Formula | C12H18ClN |
| Molecular Weight | 211.7310 |
| SMILES | C1(C=CC=CC=1C)C1CCCNC1.Cl |
| Synonyms | 3-(2-Methylphenyl)Piperidine Hydrochloride,
488856-76-4,
3-(o-Tolyl)piperidine hydrochloride,
SCHEMBL567705,
BHLYXIANQPHIQN-UHFFFAOYSA-N,
ZX-CM002936,
MFCD02178939,
AKOS027426876,
DB-012088,
FT-0713307,
3-(2-Methylphenyl)piperidine hydrochloride, AldrichCPR,
4004742-25G,
661470-63-9,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.733g/mol |
| Monoisotopic Mass | 211.113g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number