Violacein
[CAS# 548-54-9]

Identification

• Name: Violacein
• Synonyms: 3-(2-(5-Hydroxyindol-3-Yl)-5-Oxo-2-Pyrrolin-4-Ylidene)-2-Indolinone; 4-26-00-00715 (Beilstein Handbook Reference); Brn 0049923
• Molecular Formula: C₂₀H₁₃N₃O₃
• Molecular Weight: 343.34
• CAS Registry Number: 548-54-9
• SMILES: C4=C(C3=CC(=C/1C2=C(NC1=O)C=CC=C2)/C(=O)N3)C5=C([NH]4)C=CC(=C5)O
• InChI: 1S/C20H13N3O3/c24-10-5-6-15-12(7-10)14(9-21-15)17-8-13(19(25)23-17)18-11-3-1-2-4-16(11)22-20(18)26/h1-9,21,24H,(H,22,26)(H,23,25)/b18-13-
• InChIKey: XAPNKXIRQFHCHN-AQTBWJFISA-N

Properties

• Density: 1.55g/cm³ (Cal.)
• Boiling point: 821.449°C at 760 mmHg (Cal.)
• Flash point: 450.596°C (Cal.)