| CAS Number | 91908-44-0 |
| Catalog Number | AG00IGXQ(AGN-PC-0WG42Q) |
| Chemical Name | N-(2,2-Diethoxyethyl)isonicotinamide |
| IUPAC Name | N-(2,2-diethoxyethyl)pyridine-4-carboxamide |
| InChI | InChI=1S/C12H18N2O3/c1-3-16-11(17-4-2)9-14-12(15)10-5-7-13-8-6-10/h5-8,11H,3-4,9H2,1-2H3,(H,14,15) |
| InChI Key | URDUXZWZKAAYQO-UHFFFAOYSA-N |
| MDL Number | MFCD22575446 |
| Molecular Formula | C12H18N2O3 |
| Molecular Weight | 238.2829 |
| SMILES | CCOC(CNC(=O)c1ccncc1)OCC |
| Synonyms | N-(2,2-Diethoxyethyl)isonicotinamide,
91908-44-0,
MFCD22575446,
AKOS017270421,
ZINC105724858,
CS-0038935,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.287g/mol |
| Monoisotopic Mass | 238.132g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number