3-[(2S)-1-Methyl-2-pyrrolidinyl]pyridine 2-hydroxy-1,2,3-propanetricarboxylate (1:2)
[CAS# 88660-51-9]

Identification

• Name: 3-[(2S)-1-Methyl-2-pyrrolidinyl]pyridine 2-hydroxy-1,2,3-propanetricarboxylate (1:2)
• Synonyms: (S)-nicotine dicitrate
• Molecular Formula: C₂₂H₃₀N₂O₁₄
• Molecular Weight: 546.48
• CAS Registry Number: 88660-51-9
• EINECS: 289-437-8
• SMILES: CN2CCC[C@H]2c1cnccc1.OC(=O)C(O)(CC(O)=O)CC(O)=O.OC(=O)C(O)(CC(O)=O)CC(O)=O
• InChI: 1S/C10H14N2.2C6H8O7/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t10-;;/m0../s1
• InChIKey: RLNVFOZAFUJKJH-XRIOVQLTSA-N

Properties

• Boiling point: 686.5°C at 760 mmHg (Cal.)
• Flash point: 369°C (Cal.)