(6-bromohexyl)trihexylazanium bromide

• ChemBase ID: 162923
• Molecular Formular: C24H51Br2N
• Molecular Mass: 513.47644
• Monoisotopic Mass: 511.23882464
• SMILES: [N+](CCCCCC)(CCCCCC)(CCCCCC)CCCCCCBr.[Br-]
• Canonical SMILES: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCCBr.[Br-]
• InChI: InChI=1S/C24H51BrN.BrH/c1-4-7-10-16-21-26(22-17-11-8-5-2,23-18-12-9-6-3)24-19-14-13-15-20-25;/h4-24H2,1-3H3;1H/q+1;/p-1
• InChIKey: MUAJRVLCSYKEPJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-bromohexyl)trihexylazanium bromide
• IUPAC Traditional name: (6-bromohexyl)trihexylazanium bromide
• Synonyms: 6-Bromo-(trihexylammonium)hexyl Bromide

Database IDs

• PubChem SID: 162257058
• PubChem CID: 57369209

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.9833865
• LogD (pH = 7.4): 4.9833865
• Log P: 4.9833865
• Molar Refractivity: 136.1673 cm^3
• Polarizability: 48.93858 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Brown Liquid

DETAILS

Toronto Research Chemicals - B688400

Intermediate in the preparation of MTS reagents