| CAS Number | 1248060-82-3 |
| Catalog Number | AG01B6NX |
| Chemical Name | 1-(4-(Aminomethyl)phenyl)tetrahydropyrimidin-2(1H)-one |
| IUPAC Name | 1-[4-(aminomethyl)phenyl]-1,3-diazinan-2-one |
| InChI | InChI=1S/C11H15N3O/c12-8-9-2-4-10(5-3-9)14-7-1-6-13-11(14)15/h2-5H,1,6-8,12H2,(H,13,15) |
| InChI Key | VWXQJZPXBUAUMY-UHFFFAOYSA-N |
| MDL Number | MFCD16066307 |
| Molecular Formula | C11H15N3O |
| Molecular Weight | 205.2563 |
| SMILES | NCC1=CC=C(N2C(=O)NCCC2)C=C1 |
| Synonyms | 1248060-82-3,
3-[4-(Aminomethyl)phenyl]-tetrahydropyrimidin-2(1H)-one,
1-(4-(Aminomethyl)phenyl)tetrahydropyrimidin-2(1H)-one,
ZINC43323249,
AKOS010904364,
KS-8160,
1-[4-(aminomethyl)phenyl]-1,3-diazinan-2-one,
|
| Complexity | 224 |
| 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 | 2 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number