| CAS Number | 1250013-83-2 |
| Catalog Number | AG01EHS7 |
| Chemical Name | 2-(pentan-3-yl)-3,4-dihydropyrimidin-4-one |
| IUPAC Name | 2-pentan-3-yl-1,3-diazinan-4-one |
| InChI | InChI=1S/C9H18N2O/c1-3-7(4-2)9-10-6-5-8(12)11-9/h7,9-10H,3-6H2,1-2H3,(H,11,12) |
| InChI Key | AWQWCDHOCACUTK-UHFFFAOYSA-N |
| MDL Number | MFCD16706851 |
| Molecular Formula | C9H14N2O |
| Molecular Weight | 166.2203 |
| SMILES | CCC(C1NC(=O)C=CN=1)CC |
| Synonyms | 2-(pentan-3-yl)-3,4-dihydropyrimidin-4-one,
1250013-83-2,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.256g/mol |
| Monoisotopic Mass | 170.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number