| CAS Number | 28226-88-2 |
| Catalog Number | AG01ELRM(AGN-PC-0LOIXS) |
| Chemical Name | 3-chloro-N,N-diethylpropanamide |
| IUPAC Name | 3-chloro-N,N-diethylpropanamide |
| InChI | InChI=1S/C7H14ClNO/c1-3-9(4-2)7(10)5-6-8/h3-6H2,1-2H3 |
| InChI Key | AUAQTCSKOHARRK-UHFFFAOYSA-N |
| MDL Number | MFCD01343186 |
| Molecular Formula | C7H14ClNO |
| Molecular Weight | 163.6452 |
| SMILES | CCN(C(CCCl)=O)CC |
| Synonyms | 3-chloro-N,N-diethylpropanamide,
28226-88-2,
AC1NPVBF,
SCHEMBL2247271,
CTK6H7237,
ZINC5470469,
AKOS000140346,
3-chloro-N,N-diethyl-propanamide,
CID5210698,
|
| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.645g/mol |
| Monoisotopic Mass | 163.076g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number