tributyl(methyl)azanium iodide

• ChemBase ID: 107083
• Molecular Formular: C13H30IN
• Molecular Mass: 327.28847
• Monoisotopic Mass: 327.14229797
• SMILES: [I-].CCCC[N+](C)(CCCC)CCCC
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)C.[I-]
• InChI: InChI=1S/C13H30N.HI/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1
• InChIKey: DXJLCRNXYNRGRA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(methyl)azanium iodide
• IUPAC Traditional name: tributyl(methyl)azanium iodide
• Synonyms: METHYLTRIBUTYLAMMONIUM IODIDE

Database IDs

• CAS Number: 3085-79-8
• PubChem SID: 162093245
• PubChem CID: 76521

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -4.701068E-4
• LogD (pH = 7.4): -4.701068E-4
• Log P: -4.701068E-4
• Molar Refractivity: 77.5225 cm^3
• Polarizability: 26.193508 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05202481

MP Biomedicals Rare Chemical collection