| CAS Number | 1249787-17-4 |
| Catalog Number | AG01B7RE(AGN-PC-0WCO7O) |
| Chemical Name | 1-(3-amino-2-methylphenyl)-1,3-diazinan-2-one |
| IUPAC Name | 1-(3-amino-2-methylphenyl)-1,3-diazinan-2-one |
| InChI | InChI=1S/C11H15N3O/c1-8-9(12)4-2-5-10(8)14-7-3-6-13-11(14)15/h2,4-5H,3,6-7,12H2,1H3,(H,13,15) |
| InChI Key | GQBDFWSSRWUMFB-UHFFFAOYSA-N |
| MDL Number | MFCD16066293 |
| Molecular Formula | C11H15N3O |
| Molecular Weight | 205.2563 |
| SMILES | CC1=C(N2C(=O)NCCC2)C=CC=C1N |
| Synonyms | 1-(3-amino-2-methylphenyl)tetrahydropyrimidin-2(1H)-one,
1249787-17-4,
ZINC43323189,
AKOS010904928,
1-(3-amino-2-methylphenyl)-1,3-diazinan-2-one,
F2163-0140,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.261g/mol |
| Monoisotopic Mass | 205.122g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number