4-(2-Amino-6-Oxo-3H-Purin-7-Yl)Butanal
[CAS# 123752-07-8]

Identification

• Name: 4-(2-Amino-6-Oxo-3H-Purin-7-Yl)Butanal
• Synonyms: 4-(2-Amino-6-Keto-3H-Purin-7-Yl)Butyraldehyde; 2-Amino-1,6-Dihydro-6-Oxo-7H-Purine-7-Butanal; 2-Amino-1,7-Dihydro-7-(4-Oxobutyl)-6H-Purin-6-One
• Molecular Formula: C₉H₁₁N₅O₂
• Molecular Weight: 221.22
• CAS Registry Number: 123752-07-8
• SMILES: C1=NC2=C([N]1CCCC=O)C(=O)N=C(N2)N
• InChI: 1S/C9H11N5O2/c10-9-12-7-6(8(16)13-9)14(5-11-7)3-1-2-4-15/h4-5H,1-3H2,(H3,10,12,13,16)
• InChIKey: FRBHAZWTNAYCJI-UHFFFAOYSA-N

Properties

• Density: 1.617g/cm³ (Cal.)
• Boiling point: 562.504°C at 760 mmHg (Cal.)
• Flash point: 293.992°C (Cal.)