| CAS Number | 98334-91-9 |
| Catalog Number | AG01C2RA |
| Chemical Name | 5-ethyl-5-(hydroxymethyl)-1,3-diazinane-2,4,6-trione |
| IUPAC Name | 5-ethyl-5-(hydroxymethyl)-1,3-diazinane-2,4,6-trione |
| InChI | InChI=1S/C7H10N2O4/c1-2-7(3-10)4(11)8-6(13)9-5(7)12/h10H,2-3H2,1H3,(H2,8,9,11,12,13) |
| InChI Key | UMDNUJFZDRNEKM-UHFFFAOYSA-N |
| MDL Number | MFCD20728345 |
| Molecular Formula | C7H10N2O4 |
| Molecular Weight | 186.1653 |
| SMILES | CCC1(C(=O)NC(=O)NC1=O)CO |
| Synonyms | 5-ethyl-5-(hydroxymethyl)-1,3-diazinane-2,4,6-trione,
98334-91-9,
AKOS033863076,
ZINC238232327,
Z2311288982,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.167g/mol |
| Monoisotopic Mass | 186.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 95.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number