7-Methyl-7H-purin-6-amine
[CAS# 936-69-6]

Identification

• Name: 7-Methyl-7H-purin-6-amine
• Synonyms: 6-Amino-7-methylpurine; 6-Amino-7-methylpurine, 7-Methyl-7H-purin-6-amine; 7H-Purin-6-amine, 7-methyl- (9CI)
• Molecular Formula: C₆H₇N₅
• Molecular Weight: 149.15
• CAS Registry Number: 936-69-6
• SMILES: CN1C=NC2=NC=NC(=C21)N
• InChI: 1S/C6H7N5/c1-11-3-10-6-4(11)5(7)8-2-9-6/h2-3H,1H3,(H2,7,8,9)
• InChIKey: HCGHYQLFMPXSDU-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 385.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 187.2±28.7°C (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): M. Kabeláč, Chr. Plützer, K. Kleinermanns and P. Hobza. Isomer selective IR experiments and correlated ab initio quantum chemical calculations support planar H-bonded structure of the 7-methyl adenine⋯adenine and stacked structure of the 9-methyl adenine ⋯adenine base pairs, Phys. Chem. Chem. Phys., 2004, 6, 2781.