1-Benzylpyrimidine-2,4,6(1H,3H,5H)-trione - CAS 91360-95-1
Catalog: |
BB050122 |
Product Name: |
1-Benzylpyrimidine-2,4,6(1H,3H,5H)-trione |
CAS: |
91360-95-1 |
Synonyms: |
1-Benzyl-pyrimidine-2,4,6-trione; 1-Benzylbarbituric acid; 3-benzylpyrimidine-2,4,6(1H,3H)-trione; 1-benzyl-1,3,5-trihydropyrimidine-2,4,6-trione; NSC109105; 1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione |
IUPAC Name: | 1-benzyl-1,3-diazinane-2,4,6-trione |
Description: | 1-Benzylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS# 91360-95-1 ) is a useful research chemical. |
Molecular Weight: | 218.21 |
Molecular Formula: | C11H10N2O3 |
Canonical SMILES: | C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2 |
InChI: | InChI=1S/C11H10N2O3/c14-9-6-10(15)13(11(16)12-9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14,16) |
InChI Key: | BNYPOQLJBPNQOW-UHFFFAOYSA-N |
Purity: | 95 % |
Density: | 1.352±0.06 g/cm3 (Predicted) |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.06914219 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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