| CAS Number | 1172829-38-7 |
| Catalog Number | AG008SLL |
| Chemical Name | 2-(3-Fluoro-4-methyl-benzyl)-piperidine hydrochloride |
| IUPAC Name | 2-[(3-fluoro-4-methylphenyl)methyl]piperidine;hydrochloride |
| InChI | InChI=1S/C13H18FN.ClH/c1-10-5-6-11(9-13(10)14)8-12-4-2-3-7-15-12;/h5-6,9,12,15H,2-4,7-8H2,1H3;1H |
| InChI Key | DQAKNVIJOOTVGZ-UHFFFAOYSA-N |
| MDL Number | MFCD08669730 |
| Molecular Formula | C13H19ClFN |
| Molecular Weight | 243.7481 |
| SMILES | Cc1ccc(cc1F)CC1CCCCN1.Cl |
| Synonyms | 2-(3-Fluoro-4-methyl-benzyl)-piperidine hydrochloride,
1172829-38-7,
DTXSID60588839,
BP070,
MFCD08669730,
AB46063,
PC404533,
T6226,
2-(3-Fluoro-4-methylbenzyl)piperidine hydrochloride,
2-[(3-Fluoro-4-methylphenyl)methyl]piperidine--hydrogen chloride (1/1),
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.75g/mol |
| Monoisotopic Mass | 243.119g/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
Lot Number