trimethyl[5-(trimethylazaniumyl)pentyl]azanium diiodide

• ChemBase ID: 110844
• Molecular Formular: C11H28I2N2
• Molecular Mass: 442.16236
• Monoisotopic Mass: 442.03419491
• SMILES: [I-].[I-].C[N+](C)(C)CCCCC[N+](C)(C)C
• Canonical SMILES: C[N+](CCCCC[N+](C)(C)C)(C)C.[I-].[I-]
• InChI: InChI=1S/C11H28N2.2HI/c1-12(2,3)10-8-7-9-11-13(4,5)6;;/h7-11H2,1-6H3;2*1H/q+2;;/p-2
• InChIKey: SRFSMBZBBSVMKO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl[5-(trimethylazaniumyl)pentyl]azanium diiodide
• IUPAC Traditional name: trimethyl[5-(trimethylaminio)pentyl]azanium diiodide
• Synonyms: PENTAMETHONIUM IODIDE

Database IDs

• CAS Number: 5482-80-4
• PubChem SID: 162096009
• PubChem CID: 21353

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -7.0939684
• LogD (pH = 7.4): -7.0939684
• Log P: -7.0939684
• Molar Refractivity: 83.9454 cm^3
• Polarizability: 23.943758 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05216540

MP Biomedicals Rare Chemical collection