3-Butyl-1-(1-Isopropyl-3-Pyrrolidinyl)-1-Phenyl-Urea Fumarate (1:1)
[CAS# 20070-54-6]

Identification

• Name: 3-Butyl-1-(1-Isopropyl-3-Pyrrolidinyl)-1-Phenyl-Urea Fumarate (1:1)
• Synonyms: But-2-Enedioic Acid; 3-Butyl-1-(1-Isopropylpyrrolidin-3-Yl)-1-Phenyl-Urea; But-2-Enedioic Acid; 3-Butyl-1-(1-Isopropyl-3-Pyrrolidinyl)-1-Phenylurea; 3-Butyl-1-(1-Isopropyl-3-Pyrrolidinyl)-1-Phenyl-Urea Fumarate
• Molecular Formula: C₂₂H₃₃N₃O₅
• Molecular Weight: 419.52
• CAS Registry Number: 20070-54-6
• SMILES: C2=C(N(C1CN(CC1)C(C)C)C(=O)NCCCC)C=CC=C2.O=C(O)\C=C\C(=O)O
• InChI: 1S/C18H29N3O.C4H4O4/c1-4-5-12-19-18(22)21(16-9-7-6-8-10-16)17-11-13-20(14-17)15(2)3;5-3(6)1-2-4(7)8/h6-10,15,17H,4-5,11-14H2,1-3H3,(H,19,22);1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: TXVCCEFHDJFHHF-WLHGVMLRSA-N

Properties

• Boiling point: 458.3°C at 760 mmHg (Cal.)
• Flash point: 231°C (Cal.)