2-chloro-1,3-dimethylimidazolidin-1-ium; tetrafluoroboranuide

• ChemBase ID: 798518
• Molecular Formular: C5H12BClF4N2
• Molecular Mass: 222.4197928
• Monoisotopic Mass: 222.07181935
• SMILES: F[B-](F)(F)F.[NH+]1(C(N(CC1)C)Cl)C
• Canonical SMILES: F[B-](F)(F)F.CN1CC[NH+](C1Cl)C
• InChI: InChI=1S/C5H11ClN2.BF4/c1-7-3-4-8(2)5(7)6;2-1(3,4)5/h5H,3-4H2,1-2H3;/q;-1/p+1
• InChIKey: ZJAWOGYVMSAHHH-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1,3-dimethylimidazolidin-1-ium; tetrafluoroboranuide
• IUPAC Traditional name: 2-chloro-1,3-dimethylimidazolidin-1-ium tetrafluoroborate
• Synonyms: 2-chloro-1,3-dimethylimidazolidinium tetrafluoroborate

Database IDs

• CAS Number: 153433-26-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0636251
• LogD (pH = 7.4): 1.0637745
• Log P: 1.0637764
• Molar Refractivity: 47.0138 cm^3
• Polarizability: 14.057681 Å^3
• Polar Surface Area: 7.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%