| CAS Number | 1965309-07-2 |
| Catalog Number | AG01ELCY |
| Chemical Name | 6-Methyl-piperidine-3-carboxylic acid hydrochloride |
| IUPAC Name | 6-methylpiperidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C7H13NO2.ClH/c1-5-2-3-6(4-8-5)7(9)10;/h5-6,8H,2-4H2,1H3,(H,9,10);1H |
| InChI Key | NJNNMKIITLUFIE-UHFFFAOYSA-N |
| MDL Number | MFCD30181924 |
| Molecular Formula | C7H14ClNO2 |
| Molecular Weight | 179.6446 |
| SMILES | Cl.CC1CCC(CN1)C(=O)O |
| Synonyms | 1965309-07-2,
6-Methyl-piperidine-3-carboxylic acid hydrochloride,
SCHEMBL3304365,
6-methylpiperidine-3-carboxylic acid hydrochloride,
(3R,6R)-6-METHYLPIPERIDINE-3-CARBOXYLIC ACID HCL,
110287-78-0,
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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 |
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Certificate of Analysis
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