| CAS Number | 1638772-09-4 |
| Catalog Number | AG001UIL(AGN-PC-0WD8L9) |
| Chemical Name | 3-Piperidinecarboxylic acid, 5-methyl-, methyl ester, hydrochloride (1:1), (3R,5S)-rel- |
| IUPAC Name | methyl (3R,5S)-5-methylpiperidine-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C8H15NO2.ClH/c1-6-3-7(5-9-4-6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7+;/m0./s1 |
| InChI Key | JWBUUGGYBZEBNC-UOERWJHTSA-N |
| MDL Number | MFCD28501411 |
| Molecular Formula | C8H16ClNO2 |
| Molecular Weight | 193.6711 |
| SMILES | COC([C@H]1CNC[C@H](C1)C)=O.Cl |
| Synonyms | 1638772-09-4,
cis-Methyl 5-methylpiperidine-3-carboxylate hydrochloride,
Methyl cis-5-methylpiperidine-3-carboxylate hydrochloride,
Methyl cis-5-methylpiperidine-3-carboxylate HCl,
(3R,5S)-Methyl 5-methylpiperidine-3-carboxylate hydrochloride,
KS-000004QB,
MFCD28501411,
AKOS030238393,
AS-53260,
CS-0048895,
methylcis-5-methylpiperidine-3-carboxylatehydrochloride,
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| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.671g/mol |
| Monoisotopic Mass | 193.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3A^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