| CAS Number | 1042624-06-5 |
| Catalog Number | AG01B8MH |
| Chemical Name | N-(2-{[(2,4-dichlorophenyl)methyl]amino}ethyl)acetamide |
| IUPAC Name | N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide |
| InChI | InChI=1S/C11H14Cl2N2O/c1-8(16)15-5-4-14-7-9-2-3-10(12)6-11(9)13/h2-3,6,14H,4-5,7H2,1H3,(H,15,16) |
| InChI Key | JQOBWCUMOXEFHU-UHFFFAOYSA-N |
| MDL Number | MFCD11162513 |
| Molecular Formula | C11H14Cl2N2O |
| Molecular Weight | 261.1477 |
| SMILES | CC(NCCNCC1=C(Cl)C=C(Cl)C=C1)=O |
| Synonyms | N-(2-{[(2,4-dichlorophenyl)methyl]amino}ethyl)acetamide,
1042624-06-5,
ZINC20148762,
AKOS009008252,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.146g/mol |
| Monoisotopic Mass | 260.048g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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