3-[[[4-[[4-(Acetylmethylamino)Phenyl]Azo]-1-Hydroxy-2-Naphthyl]Carbonyl]Amino]-4-(Methyloctadecylamino)Benzoic Acid
[CAS# 84696-87-7]

Identification

• Name: 3-[[[4-[[4-(Acetylmethylamino)Phenyl]Azo]-1-Hydroxy-2-Naphthyl]Carbonyl]Amino]-4-(Methyloctadecylamino)Benzoic Acid
• Synonyms: 3-[[(4Z)-4-[[4-(Acetonylamino)Phenyl]Hydrazono]-1-Oxo-Naphthalene-2-Carbonyl]Amino]-4-(1-Methyloctadecylamino)Benzoic Acid; 3-[[[(4Z)-4-[[4-(Acetonylamino)Phenyl]Hydrazono]-1-Oxo-2-Naphthyl]-Oxomethyl]Amino]-4-(1-Methyloctadecylamino)Benzoic Acid; 3-[[(4Z)-4-[[4-(Acetonylamino)Phenyl]Hydrazono]-1-Keto-Naphthalene-2-Carbonyl]Amino]-4-(1-Methyloctadecylamino)Benzoic Acid
• Molecular Formula: C₄₆H₆₁N₅O₅
• Molecular Weight: 764.02
• CAS Registry Number: 84696-87-7
• EINECS: 283-695-5
• SMILES: C1=CC(=CC(=C1NC(CCCCCCCCCCCCCCCCC)C)NC(=O)C4=CC(=N/NC2=CC=C(NCC(=O)C)C=C2)/C3=CC=CC=C3C4=O)C(O)=O
• InChI: 1S/C46H61N5O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-33(2)48-41-29-24-35(46(55)56)30-43(41)49-45(54)40-31-42(38-22-19-20-23-39(38)44(40)53)51-50-37-27-25-36(26-28-37)47-32-34(3)52/h19-20,22-31,33,47-48,50H,4-18,21,32H2,1-3H3,(H,49,54)(H,55,56)/b51-42-
• InChIKey: XKIGDQWPRLQKPS-OZCIJLEVSA-N

Properties

• Density: 1.15g/cm³ (Cal.)