Discadenine
[CAS# 62061-49-8]

Identification

• Name: Discadenine
• Synonyms: 2-Amino-4-[6-(3-Methylbut-2-Enylamino)-3-Purinyl]Butanoic Acid; 2-Amino-4-[6-(3-Methylbut-2-Enylamino)Purin-3-Yl]Butyric Acid; Nsc289077
• Molecular Formula: C₁₄H₂₀N₆O₂
• Molecular Weight: 304.35
• CAS Registry Number: 62061-49-8
• SMILES: C([N]2C1=NC=NC1=C(N=C2)NCC=C(C)C)CC(C(=O)O)N
• InChI: 1S/C14H20N6O2/c1-9(2)3-5-16-12-11-13(18-7-17-11)20(8-19-12)6-4-10(15)14(21)22/h3,7-8,10,16H,4-6,15H2,1-2H3,(H,21,22)
• InChIKey: KGVAAXZLUAKZEO-UHFFFAOYSA-N

Properties

• Density: 1.382g/cm³ (Cal.)
• Boiling point: 497.452°C at 760 mmHg (Cal.)
• Flash point: 254.65°C (Cal.)