triethyl(icosyl)azanium bromide

• ChemBase ID: 167960
• Molecular Formular: C26H56BrN
• Molecular Mass: 462.63354
• Monoisotopic Mass: 461.3596128
• SMILES: CCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[Br-]
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[Br-]
• InChI: InChI=1S/C26H56N.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(6-2,7-3)8-4;/h5-26H2,1-4H3;1H/q+1;/p-1
• InChIKey: SMHLVTWLIORUSV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triethyl(icosyl)azanium bromide
• IUPAC Traditional name: triethyl(icosyl)azanium bromide
• Synonyms: N,N,N-Triethyl-1-eicosanaminium Bromide; n-Eicosyltriethylammonium Bromide; Eicosyltriethylammonium Bromide

Database IDs

• CAS Number: 75222-49-0
• PubChem SID: 162262093
• PubChem CID: 53408160

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5352545
• LogD (pH = 7.4): 5.5352545
• Log P: 5.5352545
• Molar Refractivity: 137.6371 cm^3
• Polarizability: 50.20448 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 22
• Lipinski's Rule of Five: false