tetrabutylazanium ethanolate

• ChemBase ID: 152265
• Molecular Formular: C18H41NO
• Molecular Mass: 287.52424
• Monoisotopic Mass: 287.31881494
• SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CC[O-]
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.[O-]CC
• InChI: InChI=1S/C16H36N.C2H5O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-3/h5-16H2,1-4H3;2H2,1H3/q+1;-1
• InChIKey: SNUBRLWUQHFANK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutylazanium ethanolate
• IUPAC Traditional name: ethoxide; tetrabutylammonium
• Synonyms: Tetrabutylammonium ethoxide solution; 四丁基乙醇铵 溶液

Database IDs

• CAS Number: 106303-37-1
• MDL Number: MFCD00800298
• Beilstein Number: 6018401
• PubChem SID: 24888778; 162246410
• PubChem CID: 14417848

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3234289
• LogD (pH = 7.4): 1.3234289
• Log P: 1.3234289
• Molar Refractivity: 91.3961 cm^3
• Polarizability: 31.734425 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 23 °C; 73.4 °F

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 10-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• RID/ADR: UN 2924 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: ~40% in ethanol (NT)
• Linear Formula: (CH3CH2CH2CH2)4N(OCH2CH3)