trimethyl[7-(trimethylazaniumyl)heptyl]azanium dibromide

• ChemBase ID: 162436
• Molecular Formular: C13H32Br2N2
• Molecular Mass: 376.21458
• Monoisotopic Mass: 374.09322303
• SMILES: [N+](CCCCCCC[N+](C)(C)C)(C)(C)C.[Br-].[Br-]
• Canonical SMILES: C[N+](CCCCCCC[N+](C)(C)C)(C)C.[Br-].[Br-]
• InChI: InChI=1S/C13H32N2.2BrH/c1-14(2,3)12-10-8-7-9-11-13-15(4,5)6;;/h7-13H2,1-6H3;2*1H/q+2;;/p-2
• InChIKey: VFBNKSCGJOBFNU-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl[7-(trimethylazaniumyl)heptyl]azanium dibromide
• IUPAC Traditional name: trimethyl[7-(trimethylammonio)heptyl]azanium dibromide
• Synonyms: N1,N1,N1,N7,N7,N7-Hexamethyl-1,7-heptanediaminium Bromide; Heptamethylenebis[trimethyl-ammonium Bromide; Heptamethonium Bromide; Heptamethylenebis[trimethylammonium Bromide]; Bis-1,7-(trimethylammonium)hepyl Dibromide

Database IDs

• CAS Number: 56971-24-5
• PubChem SID: 162256571
• PubChem CID: 42071

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -6.2048306
• LogD (pH = 7.4): -6.2048306
• Log P: -6.2048306
• Molar Refractivity: 93.1474 cm^3
• Polarizability: 27.636545 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol; Water
• Apperance: White Solid