| CAS Number | 152820-13-8 |
| Catalog Number | AG003Q9X(AGN-PC-07825U) |
| Chemical Name | Ethyl 4-Chloro-1-piperidinecarboxylate |
| IUPAC Name | ethyl 4-chloropiperidine-1-carboxylate |
| InChI | InChI=1S/C8H14ClNO2/c1-2-12-8(11)10-5-3-7(9)4-6-10/h7H,2-6H2,1H3 |
| InChI Key | VRTIIQLEEGGJNE-UHFFFAOYSA-N |
| MDL Number | MFCD09038524 |
| Molecular Formula | C8H14ClNO2 |
| Molecular Weight | 191.6553 |
| SMILES | O=C(N1CCC(Cl)CC1)OCC |
| Synonyms | Ethyl 4-Chloro-1-piperidinecarboxylate,
152820-13-8,
Ethyl 4-chloropiperidine-1-carboxylate,
ACMC-209d88,
SCHEMBL3629079,
1-Carbethoxy-4-chloropiperidine,
CTK4C7580,
DTXSID20659776,
ANW-21414,
MFCD09038524,
ZINC44069490,
4-Chloro-1-(ethoxycarbonyl)piperidine,
AKOS022181931,
AJ-109129,
TC-110159,
E0732,
4-Chloro-1-piperidinecarboxylic Acid Ethyl Ester,
1-Piperidinecarboxylicacid, 4-chloro-, ethyl ester,
I14-59055,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.655g/mol |
| Monoisotopic Mass | 191.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331-H341
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2810
|
Certificate of Analysis
Lot Number