1-Benzyl-5-phenylbarbituric acid

Base Information

• Chemical Name: 1-Benzyl-5-phenylbarbituric acid
• CAS No.: 72846-00-5
• Deprecated CAS: 1623060-14-9
• Molecular Formula: C17H14N2O3
• Molecular Weight: 294.30
• Hs Code.: 2933540000
• European Community (EC) Number: 276-940-2
• DSSTox Substance ID: DTXSID10888290
• Nikkaji Number: J318.872H
• Mol file: 72846-00-5.mol

Synonyms:1-Benzyl-5-phenylbarbituric acid;72846-00-5;1-benzyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trione;Benzyl-5-phenylbarbituric acid;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-1-(phenylmethyl)-;1-benzyl-5-phenyl-1,3-diazinane-2,4,6-trione;EINECS 276-940-2;MFCD00082750;1-Phenylmethyl-5-phenyl-barbituric acid;SCHEMBL66999;1-benzyl-5-phenylbarbiturate;SCHEMBL16592581;DTXSID10888290;AKOS015889672;AC-8768;AS-68395;SY036840;1-Benzyl-5-phenylbarbituric acid, AldrichCPR;3-benzyl-5-phenylpyrimidine-2,4,6(1H,3H)-trione;J-650374;W-104477

Chemical Property of 1-Benzyl-5-phenylbarbituric acid

Chemical Property:

• Appearance/Colour: Odorless powder
• Melting Point: 163-165 °C
• Refractive Index: 1.621
• PKA: 4.29±0.20(Predicted)
• PSA: 66.48000
• Density: 1.304 g/cm³
• LogP: 2.31550
• Water Solubility.: Soluble in acetone. Slightly soluble in water.
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 294.10044231
• Heavy Atom Count: 22
• Complexity: 451

Purity/Quality:

99% ^*data from raw suppliers

1-Benzyl-5-phenylbarbituricAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 22-24/25-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C(=O)C(C(=O)NC2=O)C3=CC=CC=C3
• Uses: 1-Benzyl-5-phenylbarbituric acid is useful as a pharmaceutical intermediate in organic synthesis.