| CAS Number | 1184995-85-4 |
| Catalog Number | AG00HEKP(AGN-PC-0WC1WN) |
| Chemical Name | 4-Benzylpiperidine-4-carboxylic acid hydrochloride |
| IUPAC Name | 4-benzylpiperidine-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C13H17NO2.ClH/c15-12(16)13(6-8-14-9-7-13)10-11-4-2-1-3-5-11;/h1-5,14H,6-10H2,(H,15,16);1H |
| InChI Key | JVLYONGTJHIFPO-UHFFFAOYSA-N |
| MDL Number | MFCD12028367 |
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.7405 |
| SMILES | Cl.C(C1(C(=O)O)CCNCC1)c1ccccc1 |
| Synonyms | 4-benzylpiperidine-4-carboxylic acid hydrochloride,
1184995-85-4,
4-BENZYLPIPERIDINE-4-CARBOXYLIC ACID HCL,
CTK7I5832,
MFCD12028367,
AKOS015847055,
AS-30088,
TR-061351,
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| Complexity | 240 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.742g/mol |
| Monoisotopic Mass | 255.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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