3-({4-[Benzyl(methyl)amino]phenyl}diazenyl)-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium methyl sulfate
[CAS# 84000-80-6]

Identification

• Name: 3-({4-[Benzyl(methyl)amino]phenyl}diazenyl)-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-1-ium methyl sulfate
• Synonyms: 3-[[4-[benzylmethylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium methyl sulphate
• Molecular Formula: C₁₉H₂₆N₆O₄S
• Molecular Weight: 434.51
• CAS Registry Number: 84000-80-6
• EINECS: 281-636-8
• SMILES: [O-]S(=O)(=O)OC.CN(Cc1ccccc1)c2ccc(cc2)N=N\C3=N\[NH+](C)CN3C
• InChI: 1S/C18H22N6.CH4O4S/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)19-20-18-21-24(3)14-23(18)2;1-5-6(2,3)4/h4-12H,13-14H2,1-3H3;1H3,(H,2,3,4)
• InChIKey: OOGUHHYHMMQXKH-UHFFFAOYSA-N

Properties

• Boiling point: 600.9°C at 760 mmHg (Cal.)
• Flash point: 317.2°C (Cal.)