(2-bromoethyl)tributylazanium bromide

• ChemBase ID: 178920
• Molecular Formular: C14H31Br2N
• Molecular Mass: 373.21064
• Monoisotopic Mass: 371.082324
• SMILES: C([N+](CCCC)(CCBr)CCCC)CCC.[Br-]
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCBr.[Br-]
• InChI: InChI=1S/C14H31BrN.BrH/c1-4-7-11-16(14-10-15,12-8-5-2)13-9-6-3;/h4-14H2,1-3H3;1H/q+1;/p-1
• InChIKey: GMICJWXWDFIFLG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromoethyl)tributylazanium bromide
• IUPAC Traditional name: (2-bromoethyl)tributylazanium bromide
• Synonyms: N-(2-Bromoethyl)-N,N-dibutyl-1-butanaminium Bromide; 2-(Tributylammonium)ethyl Bromide

Database IDs

• PubChem SID: 164234830
• PubChem CID: 71752691

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.849515
• LogD (pH = 7.4): 0.849515
• Log P: 0.849515
• Molar Refractivity: 89.8493 cm^3
• Polarizability: 30.553785 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane; DMF; Methanol
• Apperance: Light Yellow Oil