[4-(4,8-Diamino-1,5-Dihydroxy-9,10-Dioxoanthracen-2-Yl)Phenyl] Acetate
[CAS# 3753-50-2]

Identification

• Name: [4-(4,8-Diamino-1,5-Dihydroxy-9,10-Dioxoanthracen-2-Yl)Phenyl] Acetate
• Synonyms: [4-(4,8-Diamino-1,5-Dihydroxy-9,10-Dioxo-2-Anthryl)Phenyl] Acetate; Acetic Acid [4-(4,8-Diamino-1,5-Dihydroxy-9,10-Dioxo-2-Anthryl)Phenyl] Ester; Acetic Acid [4-(4,8-Diamino-1,5-Dihydroxy-9,10-Diketo-2-Anthryl)Phenyl] Ester
• Molecular Formula: C₂₂H₁₆N₂O₆
• Molecular Weight: 404.38
• CAS Registry Number: 3753-50-2
• EINECS: 223-157-9
• SMILES: C1=CC(=C4C(=C1O)C(=O)C2=C(C(=C(C=C2N)C3=CC=C(C=C3)OC(=O)C)O)C4=O)N
• InChI: 1S/C22H16N2O6/c1-9(25)30-11-4-2-10(3-5-11)12-8-14(24)17-19(20(12)27)22(29)16-13(23)6-7-15(26)18(16)21(17)28/h2-8,26-27H,23-24H2,1H3
• InChIKey: ODMIJAPLDKMEPD-UHFFFAOYSA-N

Properties

• Density: 1.535g/cm³ (Cal.)
• Boiling point: 746.022°C at 760 mmHg (Cal.)
• Flash point: 404.98°C (Cal.)