4-[[2,4-Diamino-6-[(3-Anilinopropyl)Amino]Pyrimidin-5-Yl]Azo]Benzoic Acid Ethyl Ester
[CAS# 7313-47-5]

Identification

• Name: 4-[[2,4-Diamino-6-[(3-Anilinopropyl)Amino]Pyrimidin-5-Yl]Azo]Benzoic Acid Ethyl Ester
• Synonyms: Ethyl 4-[2,4-Diamino-6-[3-(Phenylamino)Propylamino]Pyrimidin-5-Yl]Azobenzoate; 4-[[2,4-Diamino-6-[3-(Phenylamino)Propylamino]-5-Pyrimidinyl]Azo]Benzoic Acid Ethyl Ester; 4-[2,4-Diamino-6-[3-(Phenylamino)Propylamino]Pyrimidin-5-Yl]Azobenzoic Acid Ethyl Ester
• Molecular Formula: C₂₂H₂₆N₈O₂
• Molecular Weight: 434.50
• CAS Registry Number: 7313-47-5
• SMILES: C1=CC(=CC=C1C(OCC)=O)N=NC2=C(N=C(N=C2N)N)NCCCNC3=CC=CC=C3
• InChI: 1S/C22H26N8O2/c1-2-32-21(31)15-9-11-17(12-10-15)29-30-18-19(23)27-22(24)28-20(18)26-14-6-13-25-16-7-4-3-5-8-16/h3-5,7-12,25H,2,6,13-14H2,1H3,(H5,23,24,26,27,28)
• InChIKey: OMXYZQOYLZPDMU-UHFFFAOYSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 763.466°C at 760 mmHg (Cal.)
• Flash point: 415.529°C (Cal.)