(3-Cyano-2-Methyl-3-Phenylhexane-5-Yl)Dimethylammonium Dihydrogen (2-Hydroxypropane-1,2,3-Tricarboxylate)
[CAS# 28416-66-2]

Identification

• Name: (3-Cyano-2-Methyl-3-Phenylhexane-5-Yl)Dimethylammonium Dihydrogen (2-Hydroxypropane-1,2,3-Tricarboxylate)
• Synonyms: Citric Acid; 4-Dimethylamino-2-Isopropyl-2-Phenyl-Pentanenitrile; Citric Acid; 4-Dimethylamino-2-Isopropyl-2-Phenylpentanenitrile; Citric Acid; 4-Dimethylamino-2-Isopropyl-2-Phenyl-Valeronitrile
• Molecular Formula: C₂₂H₃₂N₂O₇
• Molecular Weight: 436.50
• CAS Registry Number: 28416-66-2
• EINECS: 249-011-4
• SMILES: C(C(O)(C(=O)O)CC(=O)O)C(=O)O.C1=C(C(C(C)C)(CC(N(C)C)C)C#N)C=CC=C1
• InChI: 1S/C16H24N2.C6H8O7/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-10,13-14H,11H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• InChIKey: ZXASMEUEMIIBDZ-UHFFFAOYSA-N