8-Bromo-1,3-Dimethyl-7H-Purine-2,6-Dione, 1-Phenylethanamine
[CAS# 5463-53-6]

Identification

• Name: 8-Bromo-1,3-Dimethyl-7H-Purine-2,6-Dione, 1-Phenylethanamine
• Synonyms: 8-Bromo-1,3-Dimethyl-7H-Purine-2,6-Quinone; 1-Phenylethylamine; Nsc14351
• Molecular Formula: C₁₅H₁₈BrN₅O₂
• Molecular Weight: 380.24
• CAS Registry Number: 5463-53-6
• SMILES: CN1C(N(C2=C(C1=O)[NH]C(=N2)Br)C)=O.C3=C(C(N)C)C=CC=C3
• InChI: 1S/C8H11N.C7H7BrN4O2/c1-7(9)8-5-3-2-4-6-8;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h2-7H,9H2,1H3;1-2H3,(H,9,10)
• InChIKey: CUEWIYGJZGTUTM-UHFFFAOYSA-N

Properties

• Boiling point: 469.5°C at 760 mmHg (Cal.)
• Flash point: 237.7°C (Cal.)