| CAS Number | 1250772-67-8 |
| Catalog Number | AG019SBF(AGN-PC-0WO1MY) |
| Chemical Name | 1-(3-aminophenyl)-1,3-diazinan-2-one |
| IUPAC Name | 1-(3-aminophenyl)-1,3-diazinan-2-one |
| InChI | InChI=1S/C10H13N3O/c11-8-3-1-4-9(7-8)13-6-2-5-12-10(13)14/h1,3-4,7H,2,5-6,11H2,(H,12,14) |
| InChI Key | OPIJUYDJXPTMIM-UHFFFAOYSA-N |
| MDL Number | MFCD16066287 |
| Molecular Formula | C10H13N3O |
| Molecular Weight | 191.2297 |
| SMILES | NC1=CC(N2C(=O)NCCC2)=CC=C1 |
| Synonyms | 1-(3-aminophenyl)-1,3-diazinan-2-one,
1250772-67-8,
ZINC43323174,
AKOS008148937,
MCULE-6540498479,
EN300-93011,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.234g/mol |
| Monoisotopic Mass | 191.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number