1-Benzyl-5-Ethyl-3-(Methoxymethyl)-5-Phenyl-1,3-Diazinane-2,4,6-Trione
[CAS# 50884-87-2]

Identification

• Name: 1-Benzyl-5-Ethyl-3-(Methoxymethyl)-5-Phenyl-1,3-Diazinane-2,4,6-Trione
• Synonyms: 5-Ethyl-1-(Methoxymethyl)-5-Phenyl-3-(Phenylmethyl)Hexahydropyrimidine-2,4,6-Trione; 1-(Benzyl)-5-Ethyl-3-(Methoxymethyl)-5-Phenyl-Barbituric Acid; 1-Benzyl-3-Methoxymethyl-5-Ethyl-5-Phenylbarbituric Acid
• Molecular Formula: C₂₁H₂₂N₂O₄
• Molecular Weight: 366.42
• CAS Registry Number: 50884-87-2
• SMILES: C1=CC=CC=C1CN2C(N(C(C(C2=O)(C3=CC=CC=C3)CC)=O)COC)=O
• InChI: 1S/C21H22N2O4/c1-3-21(17-12-8-5-9-13-17)18(24)22(14-16-10-6-4-7-11-16)20(26)23(15-27-2)19(21)25/h4-13H,3,14-15H2,1-2H3
• InChIKey: BBSUQZIHNMFPSH-UHFFFAOYSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 496.433°C at 760 mmHg (Cal.)
• Flash point: 254.034°C (Cal.)