tetrahexylazanium iodide

• ChemBase ID: 152105
• Molecular Formular: C24H52IN
• Molecular Mass: 481.58085
• Monoisotopic Mass: 481.31444867
• SMILES: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[I-]
• Canonical SMILES: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[I-]
• InChI: InChI=1S/C24H52N.HI/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;/h5-24H2,1-4H3;1H/q+1;/p-1
• InChIKey: VRKHAMWCGMJAMI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrahexylazanium iodide
• IUPAC Traditional name: tetrahexylazanium iodide
• Synonyms: Tetra-n-hexylammonium iodide; Tetrahexylammonium iodide; 四正己基碘化铵; 四己基碘化铵

Database IDs

• CAS Number: 2138-24-1
• EC Number: 218-382-4
• MDL Number: MFCD00041981
• Beilstein Number: 4164997
• PubChem SID: 162246250; 24888883
• PubChem CID: 75056

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.879978
• LogD (pH = 7.4): 4.879978
• Log P: 4.879978
• Molar Refractivity: 128.2041 cm^3
• Polarizability: 46.510445 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99-101 °C; 99-105°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (AT); 99%
• Linear Formula: [CH3(CH2)5]4N(I)

DETAILS

Sigma Aldrich - 87307

Packaging
10 g in glass bottle