6-Benzyl-1H-Purine
[CAS# 29866-18-0]

Identification

• Name: 6-Benzyl-1H-Purine
• Synonyms: 6-(Benzyl)-7H-Purine; 1H-Purine, 6-(Phenylmethyl)-; Nsc265417
• Molecular Formula: C₁₂H₁₀N₄
• Molecular Weight: 210.24
• CAS Registry Number: 29866-18-0
• EINECS: 249-900-7
• SMILES: C3=NC1=C(C(=NC=N1)CC2=CC=CC=C2)[NH]3
• InChI: 1S/C12H10N4/c1-2-4-9(5-3-1)6-10-11-12(15-7-13-10)16-8-14-11/h1-5,7-8H,6H2,(H,13,14,15,16)
• InChIKey: PVRBGBGMDLPYKG-UHFFFAOYSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 476.017°C at 760 mmHg (Cal.)
• Flash point: 230.686°C (Cal.)