1-Methyl-3-propyl-3-(2-thienyl)pyrrolidine (E)-2-butenedioate
[CAS# 73604-74-7]

Identification

• Name: 1-Methyl-3-propyl-3-(2-thienyl)pyrrolidine (E)-2-butenedioate
• Synonyms: But-2-Enedioic Acid; 1-Methyl-3-Propyl-3-(2-Thienyl)Pyrrolidine; But-2-Enedioic Acid; 1-Methyl-3-Propyl-3-Thiophen-2-Yl-Pyrrolidine; 1-Methyl-3-Propyl-3-(2-Thienyl)Pyrrolidine (E)-2-Butenedioate
• Molecular Formula: C₁₆H₂₃NO₄S
• Molecular Weight: 325.42
• CAS Registry Number: 73604-74-7
• SMILES: C1=C(SC=C1)C2(CN(CC2)C)CCC.O=C(O)\C=C\C(=O)O
• InChI: 1S/C12H19NS.C4H4O4/c1-3-6-12(7-8-13(2)10-12)11-5-4-9-14-11;5-3(6)1-2-4(7)8/h4-5,9H,3,6-8,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: QFUNAUMZOPMYDE-WLHGVMLRSA-N

Properties

• Boiling point: 281.9°C at 760 mmHg (Cal.)
• Flash point: 124.3°C (Cal.)