| CAS Number | 66120-28-3 |
| Catalog Number | AG00FK2Y(AGN-PC-00KUD3) |
| Chemical Name | 1-Benzylpiperidine-2-carboxylic acid hydrochloride |
| IUPAC Name | 1-benzylpiperidine-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C13H17NO2.ClH/c15-13(16)12-8-4-5-9-14(12)10-11-6-2-1-3-7-11;/h1-3,6-7,12H,4-5,8-10H2,(H,15,16);1H |
| InChI Key | RYEOMZUWHICYLL-UHFFFAOYSA-N |
| MDL Number | MFCD18483368 |
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.7405 |
| SMILES | Cl.OC(C1N(CC2=CC=CC=C2)CCCC1)=O |
| Synonyms | 1-benzylpiperidine-2-carboxylic acid hydrochloride,
66120-28-3,
1-BENZYL-PIPERIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE,
SCHEMBL7742897,
CTK8E1000,
DTXSID10517896,
RYEOMZUWHICYLL-UHFFFAOYSA-N,
N-Benzylpipecolic acid hydrochloride,
AKOS025402595,
MCULE-2893813479,
NE13951,
EN300-84401,
1-Benzyl-piperidine-2-carboxylicacid hydrochloride,
Z1255523373,
1-Benzylpiperidine-2-carboxylic acid--hydrogen chloride (1/1),
|
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number