ethylbis(propan-2-yl)amine trihydrofluoride

• ChemBase ID: 287382
• Molecular Formular: C8H22F3N
• Molecular Mass: 189.2621896
• Monoisotopic Mass: 189.17043437
• SMILES: CC(N(CC)C(C)C)C.F.F.F
• Canonical SMILES: CCN(C(C)C)C(C)C.F.F.F
• InChI: InChI=1S/C8H19N.3FH/c1-6-9(7(2)3)8(4)5;;;/h7-8H,6H2,1-5H3;3*1H
• InChIKey: AJRRXKJZYYBJPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethylbis(propan-2-yl)amine trihydrofluoride
• IUPAC Traditional name: N,N-diisopropylethylamine trihydrofluoride
• Synonyms: N-Ethyl-N-isopropylpropan-2-amine trihydrofluoride

Database IDs

• CAS Number: 131600-43-6
• MDL Number: MFCD00144880
• PubChem SID: 180672913
• PubChem CID: 45108321

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.3996065
• LogD (pH = 7.4): -1.0124657
• Log P: 2.0937433
• Molar Refractivity: 43.0715 cm^3
• Polarizability: 17.036163 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%