tetraethylazanium benzoate

• ChemBase ID: 156801
• Molecular Formular: C15H25NO2
• Molecular Mass: 251.3645
• Monoisotopic Mass: 251.18852905
• SMILES: CC[N+](CC)(CC)CC.c1ccc(cc1)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)c1ccccc1.CC[N+](CC)(CC)CC
• InChI: InChI=1S/C8H20N.C7H6O2/c1-5-9(6-2,7-3)8-4;8-7(9)6-4-2-1-3-5-6/h5-8H2,1-4H3;1-5H,(H,8,9)/q+1;/p-1
• InChIKey: CIFIGXMZHITUAZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraethylazanium benzoate
• IUPAC Traditional name: tetraethylammonium benzoate
• Synonyms: Tetraethylammonium benzoate; 苯甲酸四乙基铵

Database IDs

• CAS Number: 16909-22-1
• EC Number: 240-957-3
• MDL Number: MFCD00041976
• Beilstein Number: 5367653
• PubChem SID: 162250938; 24888864
• PubChem CID: 85637

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.5449352
• LogD (pH = 7.4): -2.5449352
• Log P: -2.5449352
• Molar Refractivity: 54.8961 cm^3
• Polarizability: 16.958946 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 g/mL, clear, colorless

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: ≥97.0% (T); ≥99.0%; ≥99.0% (NT)
• Grade: for electrochemical analysis; purum
• Linear Formula: (CH3CH2)4N(C6H5COO)

DETAILS

Sigma Aldrich - 87263

General description
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Sigma Aldrich - 87259

Application
Supporting electrolyte
General description
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