1-Benzyl-3-{[4-(diethylamino)phenyl]diazenyl}-4-methyl-5-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-ium methyl sulfate
[CAS# 94088-61-6]

Identification

• Name: 1-Benzyl-3-{[4-(diethylamino)phenyl]diazenyl}-4-methyl-5-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-ium methyl sulfate
• Synonyms: 1-benzyl-3-[[4-(diethylamino)phenyl]azo]-4-methyl-5-phenyl-1H-1,2,4-triazolium methyl sulphate
• Molecular Formula: C₂₇H₃₄N₆O₄S
• Molecular Weight: 538.66
• CAS Registry Number: 94088-61-6
• EINECS: 302-062-7
• SMILES: [O-]S(=O)(=O)OC.CCN(CC)c1ccc(cc1)N=N\C3=N\[NH+](Cc2ccccc2)C(N3C)c4ccccc4
• InChI: 1S/C26H30N6.CH4O4S/c1-4-31(5-2)24-18-16-23(17-19-24)27-28-26-29-32(20-21-12-8-6-9-13-21)25(30(26)3)22-14-10-7-11-15-22;1-5-6(2,3)4/h6-19,25H,4-5,20H2,1-3H3;1H3,(H,2,3,4)
• InChIKey: TXBYCIQJWGLANG-UHFFFAOYSA-N

Properties

• Boiling point: 690.1°C at 760 mmHg (Cal.)
• Flash point: 371.2°C (Cal.)