9-(2-Chloro-6-Fluorobenzyl)-6-Methylaminopurine
[CAS# 70091-21-3]

Identification

• Name: 9-(2-Chloro-6-Fluorobenzyl)-6-Methylaminopurine
• Synonyms: 9-[(2-Chloro-6-Fluoro-Phenyl)Methyl]-N-Methyl-Purin-6-Amine; 9-[(2-Chloro-6-Fluorophenyl)Methyl]-N-Methyl-6-Purinamine; [9-(2-Chloro-6-Fluoro-Benzyl)Purin-6-Yl]-Methyl-Amine
• Molecular Formula: C₁₃H₁₁ClFN₅
• Molecular Weight: 291.71
• CAS Registry Number: 70091-21-3
• SMILES: C1=NC3=C([N]1CC2=C(C=CC=C2Cl)F)N=CN=C3NC
• InChI: 1S/C13H11ClFN5/c1-16-12-11-13(18-6-17-12)20(7-19-11)5-8-9(14)3-2-4-10(8)15/h2-4,6-7H,5H2,1H3,(H,16,17,18)
• InChIKey: VAEPQHITLRNBPM-UHFFFAOYSA-N

Properties

• Density: 1.478g/cm³ (Cal.)
• Boiling point: 496.861°C at 760 mmHg (Cal.)
• Flash point: 254.293°C (Cal.)