1-[(7H-Benz[de]Anthracen-3-Yl-7-Oxo)Amino]Anthraquinone
[CAS# 81-94-7]

Identification

• Name: 1-[(7H-Benz[de]Anthracen-3-Yl-7-Oxo)Amino]Anthraquinone
• Synonyms: Nci60_000884; 1-((7-Oxo-7H-Benzo[De]Anthracen-3-Yl)Amino)Anthra-9,10-Quinone; 1[(7-Oxo-7H-Benz[De]Anthracene-3-Yl)Amino]Anthraquinone
• Molecular Formula: C₃₁H₁₇NO₃
• Molecular Weight: 451.48
• CAS Registry Number: 81-94-7
• EINECS: 201-388-6
• SMILES: C3=C2C(=O)C1=CC=CC(=C1C(C2=CC=C3)=O)NC7=C5C=CC=C6C(=O)C4=C(C=CC=C4)C(=C56)C=C7
• InChI: 1S/C31H17NO3/c33-29-19-8-2-1-7-17(19)18-15-16-25(22-11-5-12-23(29)27(18)22)32-26-14-6-13-24-28(26)31(35)21-10-4-3-9-20(21)30(24)34/h1-16,32H
• InChIKey: IYIHHRQMVJYLAX-UHFFFAOYSA-N

Properties

• Density: 1.435g/cm³ (Cal.)
• Boiling point: 700.496°C at 760 mmHg (Cal.)
• Flash point: 224.707°C (Cal.)