1,2,3,3a,4,5-Hexahydrocanthin-6-One
[CAS# 26400-25-9]

Identification

• Name: 1,2,3,3a,4,5-Hexahydrocanthin-6-One
• Synonyms: 1,2,3,3A,4,5-Hexahydrocanthin-6-One; 6H-Indolo(3,2,1-De)(1,5)Naphthyridin-6-One, 1,2,3,3A,4,5-Hexahydro-
• Molecular Formula: C₁₄H₁₄N₂O
• Molecular Weight: 226.28
• CAS Registry Number: 26400-25-9
• SMILES: C1=CC=CC2=C1C4=C3[N]2C(CCC3NCC4)=O
• InChI: 1S/C14H14N2O/c17-13-6-5-11-14-10(7-8-15-11)9-3-1-2-4-12(9)16(13)14/h1-4,11,15H,5-8H2
• InChIKey: JWKLUJICNLQLKG-UHFFFAOYSA-N

Properties

• Density: 1.444g/cm³ (Cal.)
• Boiling point: 414.108°C at 760 mmHg (Cal.)
• Flash point: 204.245°C (Cal.)