Innovar
[CAS# 8067-59-2]

Identification

• Name: Innovar
• Synonyms: Citric Acid; 3-[1-[4-(4-Fluorophenyl)-4-Oxo-Butyl]-3,6-Dihydro-2H-Pyridin-4-Yl]-1H-Benzimidazol-2-One; N-(1-Phenethyl-4-Piperidyl)-N-Phenyl-Propanamide; Citric Acid; 3-[1-[4-(4-Fluorophenyl)-4-Oxobutyl]-3,6-Dihydro-2H-Pyridin-4-Yl]-1H-Benzimidazol-2-One; N-(1-Phenethyl-4-Piperidinyl)-N-Phenylpropanamide
• Molecular Formula: C₅₀H₅₈FN₅O₁₀
• Molecular Weight: 908.03
• CAS Registry Number: 8067-59-2
• SMILES: C1=CC=CC2=C1N(C(=O)N2)C3=CCN(CC3)CCCC(=O)C4=CC=C(F)C=C4.C7=C(N(C5CCN(CC5)CCC6=CC=CC=C6)C(=O)CC)C=CC=C7.C(C(O)(C(=O)O)CC(=O)O)C(=O)O
• InChI: 1S/C22H22FN3O2.C22H28N2O.C6H8O7/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28;1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28);3-12,21H,2,13-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• InChIKey: RCFLBBHULHAKQU-UHFFFAOYSA-N

Properties

• Boiling point: 968.4°C at 760 mmHg (Cal.)
• Flash point: 539.5°C (Cal.)