8-Bromo-1,3-Dimethyl-7H-Purine-2,6-Dione, Cyclohexanamine
[CAS# 5462-96-4]

Identification

• Name: 8-Bromo-1,3-Dimethyl-7H-Purine-2,6-Dione, Cyclohexanamine
• Synonyms: 8-Bromo-1,3-Dimethyl-7H-Purine-2,6-Quinone; Cyclohexylamine; Nsc14352
• Molecular Formula: C₁₃H₂₀BrN₅O₂
• Molecular Weight: 358.24
• CAS Registry Number: 5462-96-4
• SMILES: CN2C(N(C1=C([NH]C(=N1)Br)C2=O)C)=O.C3CCCCC3N
• InChI: 1S/C7H7BrN4O2.C6H13N/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;7-6-4-2-1-3-5-6/h1-2H3,(H,9,10);6H,1-5,7H2
• InChIKey: OOCUWLIPZGVYGI-UHFFFAOYSA-N

Properties

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