Cotinine fumarate
[CAS# 5695-98-7]

Identification

• Name: Cotinine fumarate
• Synonyms: But-2-Enedioic Acid; (5R)-1-Methyl-5-(3-Pyridyl)Pyrrolidin-2-One; (5R)-1-Methyl-5-(3-Pyridyl)Pyrrolidin-2-One; But-2-Enedioic Acid; (5R)-1-Methyl-5-(3-Pyridyl)-2-Pyrrolidinone; (5R)-1-Methyl-5-(3-Pyridyl)-2-Pyrrolidinone
• Molecular Formula: C₂₄H₂₈N₄O₆
• Molecular Weight: 468.51
• CAS Registry Number: 5695-98-7
• SMILES: [C@H]1(N(C(=O)CC1)C)C2=CC=CN=C2.[C@H]3(N(C(=O)CC3)C)C4=CC=CN=C4.O=C(O)\C=C\C(=O)O
• InChI: 1S/2C10H12N2O.C4H4O4/c2*1-12-9(4-5-10(12)13)8-3-2-6-11-7-8;5-3(6)1-2-4(7)8/h2*2-3,6-7,9H,4-5H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*9-;/m11./s1
• InChIKey: NXHGVNVRWLOZDF-ATCUPGDDSA-N

Properties

• Boiling point: 316°C at 760 mmHg (Cal.)
• Flash point: 166.7°C (Cal.)