| CAS Number | 66639-75-6 |
| Catalog Number | AG00FD56(AGN-PC-03BSF4) |
| Chemical Name | 1-Ethyltetrahydropyrimidin-2(1H)-one |
| IUPAC Name | 1-ethyl-1,3-diazinan-2-one |
| InChI | InChI=1S/C6H12N2O/c1-2-8-5-3-4-7-6(8)9/h2-5H2,1H3,(H,7,9) |
| InChI Key | DBSPZYVXETVRMN-UHFFFAOYSA-N |
| MDL Number | MFCD17078877 |
| Molecular Formula | C6H12N2O |
| Molecular Weight | 128.1723 |
| SMILES | C1(=O)NCCCN1CC |
| Synonyms | 66639-75-6,
1-Ethyl-tetrahydro-2(1H)-pyrimidone,
1-ethyltetrahydro-2(1H)-pyrimidinone,
1-Ethyltetrahydropyrimidin-2(1H)-one,
1-ethyl-1,3-diazinan-2-one,
SCHEMBL6869257,
MFCD17078877,
ZINC49584946,
AKOS006357487,
AJ-111202,
1-ethyltetrahydro-2(1H)-pyrimidinone(SALTDATA,
Y-7774,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.175g/mol |
| Monoisotopic Mass | 128.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number