| CAS Number | 1803586-33-5 |
| Catalog Number | AG01A71R(AGN-PC-0WOTQ0) |
| Chemical Name | propan-2-yl 2-(piperidin-3-yl)acetate hydrochloride |
| IUPAC Name | propan-2-yl 2-piperidin-3-ylacetate;hydrochloride |
| InChI | InChI=1S/C10H19NO2.ClH/c1-8(2)13-10(12)6-9-4-3-5-11-7-9;/h8-9,11H,3-7H2,1-2H3;1H |
| InChI Key | MDTVHCOLZHHHSS-UHFFFAOYSA-N |
| MDL Number | MFCD26407639 |
| Molecular Formula | C10H20ClNO2 |
| Molecular Weight | 221.7243 |
| SMILES | Cl.CC(OC(CC1CNCCC1)=O)C |
| Synonyms | propan-2-yl 2-(piperidin-3-yl)acetate hydrochloride,
1803586-33-5,
AKOS026743311,
NE22632,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.725g/mol |
| Monoisotopic Mass | 221.118g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number