| CAS Number | 36784-59-5 |
| Catalog Number | AG019VN2(AGN-PC-00MAHP) |
| Chemical Name | 2-chloro-N-[2-(2-chloro-N-methylacetamido)ethyl]-N-methylacetamide |
| IUPAC Name | 2-chloro-N-[2-[(2-chloroacetyl)-methylamino]ethyl]-N-methylacetamide |
| InChI | InChI=1S/C8H14Cl2N2O2/c1-11(7(13)5-9)3-4-12(2)8(14)6-10/h3-6H2,1-2H3 |
| InChI Key | MQTABKLQUXUUQA-UHFFFAOYSA-N |
| MDL Number | MFCD25962791 |
| Molecular Formula | C8H14Cl2N2O2 |
| Molecular Weight | 241.1150 |
| SMILES | CN(C(CCl)=O)CCN(C(CCl)=O)C |
| Synonyms | 36784-59-5,
N,N'-(ethane-1,2-diyl)bis(2-chloro-N-methylacetamide),
N,N'-bis(2-chloroacetyl)-N,N'-dimethylethylenediamine,
ZINC138172672,
N,N'-(1,2-Ethanediyl)bis(N-methyl-2-chloroacetamide),
2-chloro-N-[2-(2-chloro-N-methylacetamido)ethyl]-N-methylacetamide,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.112g/mol |
| Monoisotopic Mass | 240.043g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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