| CAS Number | 20845-29-8 |
| Catalog Number | AG002JPB(AGN-PC-0WBSL6) |
| Chemical Name | 4-Piperidinecarboxylic acid, 1-methyl-2-oxo-, methyl ester |
| IUPAC Name | methyl 1-methyl-2-oxopiperidine-4-carboxylate |
| InChI | InChI=1S/C8H13NO3/c1-9-4-3-6(5-7(9)10)8(11)12-2/h6H,3-5H2,1-2H3 |
| InChI Key | ZIGPNSLHHPMBKK-UHFFFAOYSA-N |
| MDL Number | MFCD02258474 |
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.1937 |
| SMILES | O=C(C1CC(N(C)CC1)=O)OC |
| Synonyms | 20845-29-8,
METHYL 1-METHYL-2-OXOPIPERIDINE-4-CARBOXYLATE,
METHYL 1-METHYL-2-OXO-4-PIPERIDINECARBOXYLATE,
SCHEMBL14636507,
ZIGPNSLHHPMBKK-UHFFFAOYSA-N,
AKOS023556264,
PB31724,
KS-0000038U,
AS-33545,
DB-023329,
CS-0049226,
FT-0770284,
Methyl 1-methyl-2-oxo-piperidine-4-carboxylate,
Methyl-1-Methyl-2-Oxo-4-Piperidinecarboxylate,
Q-1909,
4-Piperidinecarboxylic acid, 1-methyl-2-oxo-, methyl ester,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.089543g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.19g/mol |
| Monoisotopic Mass | 171.089543g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number