| CAS Number | 1820740-21-3 |
| Catalog Number | AG00I141(AGN-PC-0WOCHQ) |
| Chemical Name | N-(2-Chloroethyl)-2-methoxy-N-methylpyridine-4-carboxamide |
| IUPAC Name | N-(2-chloroethyl)-2-methoxy-N-methylpyridine-4-carboxamide |
| InChI | InChI=1S/C10H13ClN2O2/c1-13(6-4-11)10(14)8-3-5-12-9(7-8)15-2/h3,5,7H,4,6H2,1-2H3 |
| InChI Key | AZGCOJXABUWXBP-UHFFFAOYSA-N |
| MDL Number | MFCD28101651 |
| Molecular Formula | C10H13ClN2O2 |
| Molecular Weight | 228.6754 |
| SMILES | ClCCN(C(=O)c1ccnc(c1)OC)C |
| Synonyms | 1820740-21-3,
N-(2-Chloroethyl)-2-methoxy-N-methylisonicotinamide,
N-(2-CHLOROETHYL)-2-METHOXY-N-METHYLPYRIDINE-4-CARBOXAMIDE,
ZINC169726163,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.676g/mol |
| Monoisotopic Mass | 228.067g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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