1-decyl-2,3-dimethyl-2,3-dihydro-1H-imidazol-1-ium; tetrafluoroboranuide

• ChemBase ID: 798332
• Molecular Formular: C15H30BF4N2
• Molecular Mass: 325.2167128
• Monoisotopic Mass: 325.24381725
• SMILES: F[B-](F)(F)F.[N+]1(C(N(C=C1)C)C)CCCCCCCCCC
• Canonical SMILES: F[B-](F)(F)F.CCCCCCCCCC[N+]1C=CN(C1C)C
• InChI: InChI=1S/C15H30N2.BF4/c1-4-5-6-7-8-9-10-11-12-17-14-13-16(3)15(17)2;2-1(3,4)5/h13-15H,4-12H2,1-3H3;/q;-1/p+1
• InChIKey: LGIWDVMGMGOFBL-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-decyl-2,3-dimethyl-2,3-dihydro-1H-imidazol-1-ium; tetrafluoroboranuide
• IUPAC Traditional name: 1-decyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium tetrafluoroborate
• Synonyms: 1-decyl-2,3-dimethyl-1h-imidazolium tetrafluoroborate

Database IDs

• CAS Number: 640282-11-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.3595634
• LogD (pH = 7.4): 4.4411526
• Log P: 4.442299
• Molar Refractivity: 87.5641 cm^3
• Polarizability: 30.022999 Å^3
• Polar Surface Area: 7.68 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%