3,8-Dimethyl-2,7-dihydrobenzo[1,7]isoindolo[6,5,4-cd]indole-4,5,9,10-tetrone
[CAS# 8049-97-6]

Identification

• Name: 3,8-Dimethyl-2,7-dihydrobenzo[1,7]isoindolo[6,5,4-cd]indole-4,5,9,10-tetrone
• Synonyms: MELANIN FROM SEPIA OFFICINALIS
• Molecular Formula: C₁₈H₁₀N₂O₄
• Molecular Weight: 318.28
• CAS Registry Number: 8049-97-6
• EINECS: 232-473-6
• SMILES: O=C4/C(=C5\C=3/C(/C=2C(=O)C(=O)\C(=C/1\N\C=C(/C\1=2)\C=3C4=O)C)=C\N5)C
• InChI: 1S/C18H10N2O4/c1-5-13-9-7(3-19-13)12-10-8(11(9)17(23)15(5)21)4-20-14(10)6(2)16(22)18(12)24/h3-4,19-20H,1-2H3
• InChIKey: XUMBMVFBXHLACL-UHFFFAOYSA-N

Properties

• Density: 1.654g/cm³ (Cal.)
• Boiling point: 500.493°C at 760 mmHg (Cal.)
• Flash point: 195.395°C (Cal.)