3-[[4-[[2-(Benzoyloxy)Ethyl]Ethylamino]Phenyl]Azo]Dimethyl-1H-1,2,4-Triazolium Chloride
[CAS# 56729-05-6]

Identification

• Name: 3-[[4-[[2-(Benzoyloxy)Ethyl]Ethylamino]Phenyl]Azo]Dimethyl-1H-1,2,4-Triazolium Chloride
• Synonyms: 2-[[4-[(1,5-Dimethyl-3H-1,2,4-Triazol-1-Ium-3-Yl)Azo]Phenyl]-Ethyl-Amino]Ethyl Benzoate Chloride; Benzoic Acid 2-[[4-[(1,5-Dimethyl-3H-1,2,4-Triazol-1-Ium-3-Yl)Azo]Phenyl]-Ethylamino]Ethyl Ester Chloride; Benzoic Acid 2-[[4-[(1,5-Dimethyl-3H-1,2,4-Triazol-1-Ium-3-Yl)Azo]Phenyl]-Ethyl-Amino]Ethyl Ester Chloride
• Molecular Formula: C₂₁H₂₅ClN₆O₂
• Molecular Weight: 428.92
• CAS Registry Number: 56729-05-6
• EINECS: 260-357-5
• SMILES: C1=CC(=CC=C1N(CCOC(=O)C2=CC=CC=C2)CC)N=NC3N=C([N+](=N3)C)C.[Cl-]
• InChI: 1S/C21H25N6O2.ClH/c1-4-27(14-15-29-20(28)17-8-6-5-7-9-17)19-12-10-18(11-13-19)23-24-21-22-16(2)26(3)25-21;/h5-13,21H,4,14-15H2,1-3H3;1H/q+1;/p-1
• InChIKey: NJLGMGXMWGMGEQ-UHFFFAOYSA-M