methyltripentylazanium bromide

• ChemBase ID: 287359
• Molecular Formular: C16H36BrN
• Molecular Mass: 322.36774
• Monoisotopic Mass: 321.20311216
• SMILES: CCCCC[N+](CCCCC)(C)CCCCC.[Br-]
• Canonical SMILES: CCCCC[N+](CCCCC)(CCCCC)C.[Br-]
• InChI: InChI=1S/C16H36N.BrH/c1-5-8-11-14-17(4,15-12-9-6-2)16-13-10-7-3;/h5-16H2,1-4H3;1H/q+1;/p-1
• InChIKey: LDWHDGXJSBCEIL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: methyltripentylazanium bromide
• IUPAC Traditional name: methyltripentylazanium bromide
• Synonyms: N-Methyl-N,N-dipentylpentan-1-aminium bromide

Database IDs

• CAS Number: 37026-88-3
• MDL Number: MFCD00043201
• PubChem SID: 180672890
• PubChem CID: 71463862

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3332359
• LogD (pH = 7.4): 1.3332359
• Log P: 1.3332359
• Molar Refractivity: 91.3255 cm^3
• Polarizability: 31.734425 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%