| CAS Number | 1171524-49-4 |
| Catalog Number | AG008SM6 |
| Chemical Name | 2-(3-Methyl-benzyl)-piperidine hydrochloride |
| IUPAC Name | 2-[(3-methylphenyl)methyl]piperidine;hydrochloride |
| InChI | InChI=1S/C13H19N.ClH/c1-11-5-4-6-12(9-11)10-13-7-2-3-8-14-13;/h4-6,9,13-14H,2-3,7-8,10H2,1H3;1H |
| InChI Key | ZUKYFGVETWBKNG-UHFFFAOYSA-N |
| MDL Number | MFCD08669735 |
| Molecular Formula | C13H20ClN |
| Molecular Weight | 225.7576 |
| SMILES | CC1=CC(CC2CCCCN2)=CC=C1.Cl |
| Synonyms | 2-(3-Methyl-benzyl)-piperidine hydrochloride,
1171524-49-4,
DTXSID10588844,
MFCD08669735,
AKOS027384712,
AB46073,
OR307741,
2-(3-methylbenzyl)piperidine hydrochloride,
T6207,
2-[(3-Methylphenyl)methyl]piperidine--hydrogen chloride (1/1),
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.76g/mol |
| Monoisotopic Mass | 225.128g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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