4-Butylphenylguanine
[CAS# 21318-90-1]

Identification

• Name: 4-Butylphenylguanine
• Synonyms: Nsc210362; 4-Butylphenylguanine; 6H-Purin-6-One, 2-Amino-9-(4-Butylphenyl)-1,9-Dihydro-
• Molecular Formula: C₁₅H₁₇N₅O
• Molecular Weight: 283.33
• CAS Registry Number: 21318-90-1
• SMILES: C2=NC1=C(NC(=NC1=O)N)[N]2C3=CC=C(CCCC)C=C3
• InChI: 1S/C15H17N5O/c1-2-3-4-10-5-7-11(8-6-10)20-9-17-12-13(20)18-15(16)19-14(12)21/h5-9H,2-4H2,1H3,(H3,16,18,19,21)
• InChIKey: AAMKCWPTVSJLCN-UHFFFAOYSA-N

Properties

• Density: 1.371g/cm³ (Cal.)
• Boiling point: 521.122°C at 760 mmHg (Cal.)
• Flash point: 268.965°C (Cal.)