N-(2-(Diethylamino)-3-propoxypropyl)-N'-(4-fluorophenyl)-N-phenylurea (E)-2-butenedioate

Base Information

• Chemical Name: N-(2-(Diethylamino)-3-propoxypropyl)-N'-(4-fluorophenyl)-N-phenylurea (E)-2-butenedioate
• CAS No.: 86398-92-7
• Molecular Formula: C27H36FN3O6
• Molecular Weight: 517.5896

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;86398-92-7;C23H32FN3O2.xC4H4O4;C23-H32-F-N3-O2.x-C4-H4-O4;LS-159792

Chemical Property of N-(2-(Diethylamino)-3-propoxypropyl)-N'-(4-fluorophenyl)-N-phenylurea (E)-2-butenedioate

Chemical Property:

• Vapor Pressure: 5.68E-12mmHg at 25°C
• Boiling Point: 545.9°Cat760mmHg
• Flash Point: 283.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 517.25881404
• Heavy Atom Count: 37
• Complexity: 566

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MSDS Files:

Useful:

• Canonical SMILES: CCCOCC(CN(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)F)N(CC)CC.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCCOCC(CN(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)F)N(CC)CC.C(=C/C(=O)O)\C(=O)O

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