2-Amino-8-(2,3,4-Trihydroxybutyl)-3,7-Dihydropurin-6-One
[CAS# 120083-56-9]

Identification

• Name: 2-Amino-8-(2,3,4-Trihydroxybutyl)-3,7-Dihydropurin-6-One
• Synonyms: 6H-Purin-6-One, 2-Amino-1,7-Dihydro-8-(2,3,4-Trihydroxybutyl)-; 8-(2,3,4-Trihydroxybutyl)Guanine; Thb-Guanine
• Molecular Formula: C₉H₁₃N₅O₄
• Molecular Weight: 255.23
• CAS Registry Number: 120083-56-9
• SMILES: C(C(O)C(O)CO)C1=NC2=C([NH]1)C(=O)N=C(N2)N
• InChI: 1S/C9H13N5O4/c10-9-13-7-6(8(18)14-9)11-5(12-7)1-3(16)4(17)2-15/h3-4,15-17H,1-2H2,(H4,10,11,12,13,14,18)
• InChIKey: LACJNFVQUVDCCC-UHFFFAOYSA-N

Properties

• Density: 2.037g/cm³ (Cal.)
• Boiling point: 802.05°C at 760 mmHg (Cal.)
• Flash point: 438.864°C (Cal.)