4-Amino-1-(4-Hydroxybuta-1,2-Dienyl)Pyrimidin-2-One
[CAS# 114987-19-8]

Identification

• Name: 4-Amino-1-(4-Hydroxybuta-1,2-Dienyl)Pyrimidin-2-One
• Synonyms: 4-Amino-1-(4-Hydroxybuta-1,2-Dienyl)-2-Pyrimidinone; (-)-Cytallene; (R)-1-(4'-Hydroxy-1',2'-Butadienyl)Cytosine
• Molecular Formula: C₈H₉N₃O₂
• Molecular Weight: 179.18
• CAS Registry Number: 114987-19-8
• SMILES: C([CH]=[C]=[CH]N1C=CC(=NC1=O)N)O
• InChI: 1S/C8H9N3O2/c9-7-3-5-11(8(13)10-7)4-1-2-6-12/h2-5,12H,6H2,(H2,9,10,13)
• InChIKey: WBOPPXMLTYJKEO-UHFFFAOYSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 393.142°C at 760 mmHg (Cal.)
• Flash point: 191.565°C (Cal.)