1-(4-amino-2-hydroxy-phenyl)-3-(4-cyanophenyl)urea, 4-methylbenzenesulfonic acid
[CAS# 94713-20-9]

Identification

• Name: 1-(4-amino-2-hydroxy-phenyl)-3-(4-cyanophenyl)urea, 4-methylbenzenesulfonic acid
• Synonyms: N-(4-amino-2-hydroxyphenyl)-N'-(p-cyanophenyl)urea mono(toluene-p-sulphonate)
• Molecular Formula: C₂₁H₂₀N₄O₅S
• Molecular Weight: 440.47
• CAS Registry Number: 94713-20-9
• EINECS: 305-566-5
• SMILES: Oc2cc(N)ccc2NC(=O)Nc1ccc(C#N)cc1.OS(=O)(=O)c1ccc(C)cc1
• InChI: 1S/C14H12N4O2.C7H8O3S/c15-8-9-1-4-11(5-2-9)17-14(20)18-12-6-3-10(16)7-13(12)19;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,19H,16H2,(H2,17,18,20);2-5H,1H3,(H,8,9,10)
• InChIKey: MBVNVMITIVWIOW-UHFFFAOYSA-N

Properties

• Boiling point: 639.5°C at 760 mmHg (Cal.)
• Flash point: 340.6°C (Cal.)