1-[2-(Diethylamino)-3-propoxypropyl]-3-(4-fluorophenyl)-1-phenylurea (2E)-2-butenedioate (1:1)
[CAS# 86398-92-7]

Identification

• Name: 1-[2-(Diethylamino)-3-propoxypropyl]-3-(4-fluorophenyl)-1-phenylurea (2E)-2-butenedioate (1:1)
• Synonyms: N-(2-(Diethylamino)-3-propoxypropyl)-N'-(4-fluorophenyl)-N-phenylurea (E)-2-butenedioate; Urea, N-(2-(diethylamino)-3-propoxypropyl)-N'-(4-fluorophenyl)-N-phenyl-, (E)-2-butenedioate
• Molecular Formula: C₂₇H₃₆FN₃O₆
• Molecular Weight: 517.59
• CAS Registry Number: 86398-92-7
• SMILES: O=C(O)\C=C\C(=O)O.Fc1ccc(cc1)NC(=O)N(c2ccccc2)CC(N(CC)CC)COCCC
• InChI: 1S/C23H32FN3O2.C4H4O4/c1-4-16-29-18-22(26(5-2)6-3)17-27(21-10-8-7-9-11-21)23(28)25-20-14-12-19(24)13-15-20;5-3(6)1-2-4(7)8/h7-15,22H,4-6,16-18H2,1-3H3,(H,25,28);1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: YQEDKMVVQVAPNJ-WLHGVMLRSA-N

Properties

• Boiling point: 545.9°C at 760 mmHg (Cal.)
• Flash point: 283.9°C (Cal.)