9-(3-Oxoprop-1-enyl)adenine
[CAS# 90029-73-5]

Identification

• Name: 9-(3-Oxoprop-1-enyl)adenine
• Synonyms: (E)-3-(6-Amino-9-Purinyl)Prop-2-Enal; (E)-3-(6-Aminopurin-9-Yl)Acrolein; Adenine Propenal
• Molecular Formula: C₈H₇N₅O
• Molecular Weight: 189.18
• CAS Registry Number: 90029-73-5
• SMILES: C1=NC2=C([N]1\C=C\C=O)N=CN=C2N
• InChI: 1S/C8H7N5O/c9-7-6-8(11-4-10-7)13(5-12-6)2-1-3-14/h1-5H,(H2,9,10,11)/b2-1+
• InChIKey: LYXOMQKQLZJTQN-OWOJBTEDSA-N

Properties

• Density: 1.534g/cm³ (Cal.)
• Boiling point: 486.835°C at 760 mmHg (Cal.)
• Flash point: 248.229°C (Cal.)