5,6,7,8,9,10-Hexahydro-5-(4-Methylbenzoyl)Cyclohepta[b]-1,3-Dioxolo[4,5-f]Indole
[CAS# 50332-36-0]

Identification

• Name: 5,6,7,8,9,10-Hexahydro-5-(4-Methylbenzoyl)Cyclohepta[b]-1,3-Dioxolo[4,5-f]Indole
• Synonyms: Brn 1033852; Cyclohepta(B)-1,3-Dioxolo(4,5-F)Indole, 5,6,7,8,9,10-Hexahydro-5-(P-Toluoyl)-; Cyclohepta(B)-1,3-Dioxolo(4,5-F)Indole, 5,6,7,8,9,10-Hexahydro-5-(4-Methylbenzoyl)-
• Molecular Formula: C₂₂H₂₁NO₃
• Molecular Weight: 347.41
• CAS Registry Number: 50332-36-0
• SMILES: C2=C1C4=C([NH]C1=CC3=C2OCO3)CCCCC4C(=O)C5=CC=C(C=C5)C
• InChI: 1S/C22H21NO3/c1-13-6-8-14(9-7-13)22(24)15-4-2-3-5-17-21(15)16-10-19-20(26-12-25-19)11-18(16)23-17/h6-11,15,23H,2-5,12H2,1H3
• InChIKey: PIFRCHBZYGGBTB-UHFFFAOYSA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 559.598°C at 760 mmHg (Cal.)
• Flash point: 292.235°C (Cal.)