| CAS Number | 1038992-98-1 |
| Catalog Number | AG01AFGX(AGN-PC-0WO262) |
| Chemical Name | 3-Methylpiperidine-4-carboxylic acid hydrochloride |
| IUPAC Name | 3-methylpiperidine-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C7H13NO2.ClH/c1-5-4-8-3-2-6(5)7(9)10;/h5-6,8H,2-4H2,1H3,(H,9,10);1H |
| InChI Key | IFRKXMIEHXHLNL-UHFFFAOYSA-N |
| MDL Number | MFCD21605305 |
| Molecular Formula | C7H14ClNO2 |
| Molecular Weight | 179.6446 |
| SMILES | Cl.CC1CNCCC1C(=O)O |
| Synonyms | 1038992-98-1,
3-methylpiperidine-4-carboxylic acid hydrochloride,
3-methyl-4-carboxy piperidine hydrochloride,
rel-(3R,4R)-3-Methylpiperidine-4-carboxylic acid hydrochloride,
IFRKXMIEHXHLNL-UHFFFAOYSA-N,
1207267-92-2,
MFCD03426299,
AKOS026726786,
MCULE-7019458300,
SB15670,
3-methylpiperidine-4-carboxylic acid hcl,
AS-51555,
CS-0056618,
3-methylpiperidine-4-carboxylicacidhydrochloride,
Z1795818158,
3-Methyl-4-piperidinecarboxylic acid,
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.644g/mol |
| Monoisotopic Mass | 179.071g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number