N-Benzyl-9-(Tetrahydro-2H-Pyran-2-Yl)-Adenine
[CAS# 61764-68-9]

Identification

• Name: N-Benzyl-9-(Tetrahydro-2H-Pyran-2-Yl)-Adenine
• Synonyms: N-(Phenylmethyl)-9-Tetrahydropyran-2-Yl-Purin-6-Amine; N-(Phenylmethyl)-9-(2-Tetrahydropyranyl)-6-Purinamine; Benzyl-(9-Tetrahydropyran-2-Ylpurin-6-Yl)Amine
• Molecular Formula: C₁₇H₁₉N₅O
• Molecular Weight: 309.37
• CAS Registry Number: 61764-68-9
• SMILES: C1=NC3=C([N]1C2CCCCO2)N=CN=C3NCC4=CC=CC=C4
• InChI: 1S/C17H19N5O/c1-2-6-13(7-3-1)10-18-16-15-17(20-11-19-16)22(12-21-15)14-8-4-5-9-23-14/h1-3,6-7,11-12,14H,4-5,8-10H2,(H,18,19,20)
• InChIKey: POFWRMVFWIJXHP-UHFFFAOYSA-N

Properties

• Density: 1.355g/cm³ (Cal.)
• Boiling point: 541.122°C at 760 mmHg (Cal.)
• Flash point: 281.06°C (Cal.)