| CAS Number | 99065-80-2 |
| Catalog Number | AG01AJ3X(AGN-PC-06N6H0) |
| Chemical Name | methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate |
| IUPAC Name | methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate |
| InChI | InChI=1S/C9H17NO3/c1-13-9(12)8-2-4-10(5-3-8)6-7-11/h8,11H,2-7H2,1H3 |
| InChI Key | LBMXGNXYBMWVRQ-UHFFFAOYSA-N |
| MDL Number | MFCD12186536 |
| Molecular Formula | C9H17NO3 |
| Molecular Weight | 187.2362 |
| SMILES | COC(C1CCN(CCO)CC1)=O |
| Synonyms | methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate,
EN300-79708,
99065-80-2,
ZINC35649644,
AKOS008132344,
MCULE-4907133747,
BBV-24916838,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.239g/mol |
| Monoisotopic Mass | 187.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number