4-(7'-(Tryptamine-4,5-dione))-2,4''-bis-5-hydroxytryptamine
[CAS# 118230-91-4]

Identification

• Name: 4-(7'-(Tryptamine-4,5-dione))-2,4''-bis-5-hydroxytryptamine
• Synonyms: 3-(2-Aminoethyl)-7-[3-(2-Aminoethyl)-2-[3-(2-Aminoethyl)-5-Hydroxy-1H-Indol-4-Yl]-5-Hydroxy-1H-Indol-4-Yl]-1H-Indole-4,5-Quinone; (4,2':4',7''-Ter-1H-Indole)-4'',5''-Dione, 3,3',3''-Tris(2-Aminoethyl)-5,5'-Dihydroxy-; 4-(7'-(Tryptamine-4,5-Dione))-2,4''-Bis-5-Hydroxytryptamine
• Molecular Formula: C₃₀H₃₀N₆O₄
• Molecular Weight: 538.60
• CAS Registry Number: 118230-91-4
• SMILES: C1=CC(=C(C2=C1[NH]C(=C2CCN)C3=C(O)C=CC4=C3C(=C[NH]4)CCN)C5=CC(=O)C(=O)C6=C5[NH]C=C6CCN)O
• InChI: 1S/C30H30N6O4/c31-8-5-14-12-34-18-1-3-21(38)27(23(14)18)29-16(7-10-33)25-19(36-29)2-4-20(37)26(25)17-11-22(39)30(40)24-15(6-9-32)13-35-28(17)24/h1-4,11-13,34-38H,5-10,31-33H2
• InChIKey: CEMLZXOOHUQQHH-UHFFFAOYSA-N

Properties

• Density: 1.498g/cm³ (Cal.)
• Boiling point: 945.233°C at 760 mmHg (Cal.)
• Flash point: 525.458°C (Cal.)