| CAS Number | 116140-23-9 |
| Catalog Number | AG00HDP9(AGN-PC-0BHUXV) |
| Chemical Name | 3-Ethylpiperidine-3-carboxylic acid hydrochloride |
| IUPAC Name | 3-ethylpiperidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C8H15NO2.ClH/c1-2-8(7(10)11)4-3-5-9-6-8;/h9H,2-6H2,1H3,(H,10,11);1H |
| InChI Key | CMWJGEVWGKLCLW-UHFFFAOYSA-N |
| MDL Number | MFCD19103467 |
| Molecular Formula | C8H16ClNO2 |
| Molecular Weight | 193.6711 |
| SMILES | C1(CCCNC1)(CC)C(O)=O.Cl |
| Synonyms | 3-ethylpiperidine-3-carboxylic acid hydrochloride,
116140-23-9,
3-Piperidinecarboxylic acid, 3-ethyl-, hydrochloride,
ZX-CM009559,
MFCD19103467,
AKOS027426060,
T4730,
3-ethyl-3-piperidinecarboxylic acid hydrochloride,
3-Ethyl-3-piperidinecarboxylic acid hydrochloride, AldrichCPR,
116140-50-2,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.671g/mol |
| Monoisotopic Mass | 193.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number