| CAS Number | 1429636-74-7 |
| Catalog Number | AG01E22O(AGN-PC-0WP0X4) |
| Chemical Name | 1-(1,3-Dioxolan-2-ylmethyl)-N-methyl-4-(methylamino)-1H-imidazole-5-carboxamide |
| IUPAC Name | 3-(1,3-dioxolan-2-ylmethyl)-N-methyl-5-(methylamino)imidazole-4-carboxamide |
| InChI | InChI=1S/C10H16N4O3/c1-11-9-8(10(15)12-2)14(6-13-9)5-7-16-3-4-17-7/h6-7,11H,3-5H2,1-2H3,(H,12,15) |
| InChI Key | NZNGFFZEKHUMKT-UHFFFAOYSA-N |
| MDL Number | MFCD34597761 |
| Molecular Formula | C10H16N4O3 |
| Molecular Weight | 240.2590 |
| SMILES | O1C(OCC1)CN1C=NC(=C1C(=O)NC)NC |
| Synonyms | Doxofylline Impurity 1,
1429636-74-7,
1-((1,3-dioxolan-2-yl)methyl)-N-methyl-4-(methylamino)-1H- imidazole-5-carboxamide,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.263g/mol |
| Monoisotopic Mass | 240.122g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number