| CAS Number | 7596-82-9 |
| Catalog Number | AG00G4HD |
| Chemical Name | 3-[(piperidin-1-yl)methyl]benzoic acid hydrochloride |
| IUPAC Name | 3-(piperidin-1-ylmethyl)benzoic acid;hydrochloride |
| InChI | InChI=1S/C13H17NO2.ClH/c15-13(16)12-6-4-5-11(9-12)10-14-7-2-1-3-8-14;/h4-6,9H,1-3,7-8,10H2,(H,15,16);1H |
| InChI Key | WLRKCNCUWGKDNO-UHFFFAOYSA-N |
| MDL Number | MFCD07772860 |
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.7405 |
| NSC Number | 19496 |
| SMILES | Cl.OC(C1=CC(CN2CCCCC2)=CC=C1)=O |
| Synonyms | 7596-82-9,
3-[(piperidin-1-yl)methyl]benzoic acid hydrochloride,
NSC19496,
NSC-19496,
CHEMBL1976177,
DTXSID00640208,
MFCD09064953,
SBB101644,
AKOS015995730,
3-(piperidylmethyl)benzoic acid, chloride,
3-(Piperidinomethyl)benzoic acid hydrochloride,
3-(piperidin-1-ylmethyl)benzoic acid hydrochloride,
Z2306626585,
3-(piperidinomethyl)benzoic acid hydrochloride, AldrichCPR,
3-[(Piperidin-1-yl)methyl]benzoic acid--hydrogen chloride (1/1),
3-(1-piperidinylmethyl)benzoic acid,
3-(piperidinomethyl)benzoic acid hydrochloride 0.5 hydrate,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.742g/mol |
| Monoisotopic Mass | 255.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number