1,3-Bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium tetrafluoroborate

• Catalog Number: ACM245679189-2
• Product Name: 1,3-Bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium tetrafluoroborate
• CAS: 245679-18-9
• Category: Organic Phosphine Compounds
• Synonyms: 1,3-Dimesityl-4,5-Dihydro-1H-Imidazol-3-Ium Tetrafluoroborate
• IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;tetrafluoroborate
• Molecular Weight: 394.26
• Molecular Formula: C21H27BF4N2
• Canonical SMILES: [B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2CC[N+](=C2)C3=C(C=C(C=C3C)C)C)C
• InChI: VNRDQIOMNLIVQJ-UHFFFAOYSA-N
• InChI Key: InChI=1S/C21H27N2.BF4/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2-1(3,4)5/h9-13H,7-8H2,1-6H3;/q+1;-1
• Melting Point: 290-296 °C
• Appearance: Off-white powder
• Complexity: 398
• Covalently-Bonded Unit Count: 2
• Exact Mass: 394.22g/mol
• H-Bond Acceptor: 5
• Heavy Atom Count: 28
• Isomeric SMILES: [B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2CC[N+](=C2)C3=C(C=C(C=C3C)C)C)C
• Monoisotopic Mass: 394.22g/mol
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 6.2A^2