(3-bromopropyl)tributylazanium bromide

• ChemBase ID: 162922
• Molecular Formular: C15H33Br2N
• Molecular Mass: 387.23722
• Monoisotopic Mass: 385.09797406
• SMILES: [N+](CCCC)(CCCC)(CCCBr)CCCC.[Br-]
• Canonical SMILES: CCCC[N+](CCCBr)(CCCC)CCCC.[Br-]
• InChI: InChI=1S/C15H33BrN.BrH/c1-4-7-12-17(13-8-5-2,14-9-6-3)15-10-11-16;/h4-15H2,1-3H3;1H/q+1;/p-1
• InChIKey: DXXFPUGJLQDNNT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromopropyl)tributylazanium bromide
• IUPAC Traditional name: (3-bromopropyl)tributylazanium bromide
• Synonyms: 1-Bromo-3-(tri-N-butylammonium)propane Bromide

Database IDs

• PubChem SID: 162257057
• PubChem CID: 57369131

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.90947473
• LogD (pH = 7.4): 0.90947473
• Log P: 0.90947473
• Molar Refractivity: 94.7147 cm^3
• Polarizability: 32.38571 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Yellow Oil