| CAS Number | 731012-11-6 |
| Catalog Number | AG019J2X |
| Chemical Name | Ethyl 1-(2-chloropropanoyl)piperidine-4-carboxylate |
| IUPAC Name | ethyl 1-(2-chloropropanoyl)piperidine-4-carboxylate |
| InChI | InChI=1S/C11H18ClNO3/c1-3-16-11(15)9-4-6-13(7-5-9)10(14)8(2)12/h8-9H,3-7H2,1-2H3 |
| InChI Key | AVZSMRMIZSTDGN-UHFFFAOYSA-N |
| MDL Number | MFCD04626530 |
| Molecular Formula | C11H18ClNO3 |
| Molecular Weight | 247.7185 |
| SMILES | CCOC(C1CCN(C(C(Cl)C)=O)CC1)=O |
| Synonyms | ethyl 1-(2-chloropropanoyl)piperidine-4-carboxylate,
731012-11-6,
AC1MQVP6,
AC1Q34JL,
CTK6F6850,
AVZSMRMIZSTDGN-UHFFFAOYSA-N,
AKOS008030059,
MCULE-2437330427,
NE12961,
EN300-08440,
Isonipecotic acid, N-(2-chloropropionyl)-, ethyl ester,
ZINC03887319,
CID3483189,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.719g/mol |
| Monoisotopic Mass | 247.098g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number