72846-00-5

Name 1-Phenylmethyl-5-phenyl-barbituric acid
CAS 72846-00-5
EINECS(EC#) 276-940-2
Molecular Formula C17H14N2O3
MDL Number MFCD00082750
Molecular Weight 294.3
MOL File 72846-00-5.mol
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Chemical Properties

Melting point  163-165°C
density  1.304±0.06 g/cm3(Predicted)
pka 4.29±0.20(Predicted)
Water Solubility  Soluble in acetone. Slightly soluble in water.
InChI InChI=1S/C17H14N2O3/c20-15-14(13-9-5-2-6-10-13)16(21)19(17(22)18-15)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,18,20,22)
InChIKey KCWWCWMGJOWTMY-UHFFFAOYSA-N
SMILES C1(=O)N(CC2=CC=CC=C2)C(=O)C(C2=CC=CC=C2)C(=O)N1
LogP 2.3 at 20℃
CAS DataBase Reference 72846-00-5(CAS DataBase Reference)
EPA Substance Registry System 72846-00-5(EPA Substance)

Safety Data

Hazard Codes  T
Risk Statements 
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
TSCA  Yes
REACH Registrations Active

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