| CAS Number | 681482-53-1 |
| Catalog Number | AG00FK2F(AGN-PC-0WBPP0) |
| Chemical Name | 1-Benzylpiperidine-4-carboxylic acid hydrochloride |
| IUPAC Name | 1-benzylpiperidine-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C13H17NO2.ClH/c15-13(16)12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;/h1-5,12H,6-10H2,(H,15,16);1H |
| InChI Key | TVVLCSICKUPMHY-UHFFFAOYSA-N |
| MDL Number | MFCD06799953 |
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.7405 |
| SMILES | Cl.OC(C1CCN(CC2=CC=CC=C2)CC1)=O |
| Synonyms | 1-benzylpiperidine-4-carboxylic acid hydrochloride,
681482-53-1,
AC1Q3EZ7,
1-benzyl-piperidine-4-carboxylic acid hydrochloride,
SCHEMBL2551741,
CTK7J0198,
DTXSID60662986,
TVVLCSICKUPMHY-UHFFFAOYSA-N,
8043AE,
AKOS015847374,
MCULE-8230848200,
RTR-043254,
TR-043254,
EN300-44921,
Z-0501,
1-benzylpiperidine-4-carboxylic acidhydrochloride,
1-Benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1),
C13H18ClNO2,
|
| Complexity | 228 |
| 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
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Certificate of Analysis
Lot Number