3-(1-Cyclohexyl-3-Pyrrolidinyl)-1,1-Diphenyl-Urea Fumarate
[CAS# 20070-52-4]

Identification

• Name: 3-(1-Cyclohexyl-3-Pyrrolidinyl)-1,1-Diphenyl-Urea Fumarate
• Synonyms: But-2-Enedioic Acid; 3-(1-Cyclohexyl-3-Pyrrolidinyl)-1,1-Di(Phenyl)Urea; 3-(1-Cyclohexyl-3-Pyrrolidinyl)-1,1-Diphenyl-Urea Fumarate; Urea, 3-(1-Cyclohexyl-3-Pyrrolidinyl)-1,1-Diphenyl-, Fumarate (1:1)
• Molecular Formula: C₂₇H₃₃N₃O₅
• Molecular Weight: 479.57
• CAS Registry Number: 20070-52-4
• SMILES: C4=C(N(C(=O)NC2CN(C1CCCCC1)CC2)C3=CC=CC=C3)C=CC=C4.O=C(O)\C=C\C(=O)O
• InChI: 1S/C23H29N3O.C4H4O4/c27-23(24-19-16-17-25(18-19)20-10-4-1-5-11-20)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22;5-3(6)1-2-4(7)8/h2-3,6-9,12-15,19-20H,1,4-5,10-11,16-18H2,(H,24,27);1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: YXWXWVNAKPDSDJ-WLHGVMLRSA-N

Properties

• Boiling point: 546.7°C at 760 mmHg (Cal.)
• Flash point: 284.4°C (Cal.)