tetrahexylazanium chloride

• ChemBase ID: 108002
• Molecular Formular: C24H52ClN
• Molecular Mass: 390.12938
• Monoisotopic Mass: 389.37882835
• SMILES: [Cl-].CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
• Canonical SMILES: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[Cl-]
• InChI: InChI=1S/C24H52N.ClH/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: ODTSDWCGLRVBHJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrahexylazanium chloride
• IUPAC Traditional name: tetrahexylazanium chloride
• Synonyms: Tetrahexylammonium chloride; TETRAHEXYLAMMONIUM CHLORIDE; 四己基氯化铵

Database IDs

• CAS Number: 5922-92-9
• EC Number: 227-653-6
• MDL Number: MFCD00011859
• Beilstein Number: 4605091
• PubChem SID: 24888881; 162093576; 24855887
• PubChem CID: 80021

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: 111-113 °C(lit.)

Safety Information

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

Product Information

• Purity: ≥95.0% (AT); 96%
• Grade: purum
• Ignition Residue: ≤0.5%
• Linear Formula: [CH3(CH2)5]4N(Cl)

DETAILS

MP Biomedicals - 05205729

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 263834

Packaging
25 g in poly bottle
5 g in glass bottle

Sigma Aldrich - 87305

Other Notes
Extraction of alkoxide anions into the organic phase1