Gentianadine
[CAS# 6790-32-5]

Identification

• Name: Gentianadine
• Synonyms: C09957; Gentianadine
• Molecular Formula: C₈H₇NO₂
• Molecular Weight: 149.15
• CAS Registry Number: 6790-32-5
• SMILES: C2=C1C(OCCC1=CC=N2)=O
• InChI: 1S/C8H7NO2/c10-8-7-5-9-3-1-6(7)2-4-11-8/h1,3,5H,2,4H2
• InChIKey: SIIDHCZFMSEKDS-UHFFFAOYSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 337.996°C at 760 mmHg (Cal.)
• Flash point: 158.215°C (Cal.)