| CAS Number | 1016704-73-6 |
| Catalog Number | AG019VI6(AGN-PC-0WO2A2) |
| Chemical Name | 1-[(3-Aminophenyl)methyl]-1,2-dihydropyrimidin-2-one |
| IUPAC Name | 1-[(3-aminophenyl)methyl]pyrimidin-2-one |
| InChI | InChI=1S/C11H11N3O/c12-10-4-1-3-9(7-10)8-14-6-2-5-13-11(14)15/h1-7H,8,12H2 |
| InChI Key | UKHXTQMLCJUOBO-UHFFFAOYSA-N |
| MDL Number | MFCD09810076 |
| Molecular Formula | C11H11N3O |
| Molecular Weight | 201.2245 |
| SMILES | NC1=CC(CN2C(=O)N=CC=C2)=CC=C1 |
| Synonyms | 1-[(3-aminophenyl)methyl]-1,2-dihydropyrimidin-2-one,
1016704-73-6,
AC1Q51ND,
CTK7D8972,
ZINC19276541,
AKOS000157385,
MCULE-1983649748,
NE26799,
EN300-45306,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.229g/mol |
| Monoisotopic Mass | 201.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number