| CAS Number | 82244-11-9 |
| Catalog Number | AG00500G(AGN-PC-00K8PI) |
| Chemical Name | Benzyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate |
| IUPAC Name | benzyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate |
| InChI | InChI=1S/C17H21NO4/c1-2-21-16(19)12-14-8-10-18(11-9-14)17(20)22-13-15-6-4-3-5-7-15/h3-7,12H,2,8-11,13H2,1H3 |
| InChI Key | HDYDVFOKRUEKRB-UHFFFAOYSA-N |
| MDL Number | MFCD14635597 |
| Molecular Formula | C17H21NO4 |
| Molecular Weight | 303.3529 |
| SMILES | CCOC(/C=C1CCN(C(OCC2=CC=CC=C2)=O)CC1)=O |
| Synonyms | Benzyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate,
82244-11-9,
BENZYL 4-(2-ETHOXY-2-OXOETHYLIDENE) PIPERIDINE-1-CARBOXYLATE,
SCHEMBL2797469,
CTK8C3133,
DTXSID40513821,
2722AC,
ANW-69717,
MFCD14635597,
ZINC39348545,
AJ-99953,
AX8241917,
TC-158462,
ST24024657,
[1-(Benzyloxycarbonyl)piperidine-4-ylidene]acetic acid ethyl ester,
C17H21NO4,
Benzyl4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate,
|
| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.358g/mol |
| Monoisotopic Mass | 303.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number