sodium bis(sodiumamine) 2-(2-ethoxyethoxy)ethan-1-olate

• ChemBase ID: 156619
• Molecular Formular: C6H17N2Na3O3
• Molecular Mass: 234.18009
• Monoisotopic Mass: 234.09322526
• SMILES: CCOCCOCC[O-].N[Na].N[Na].[Na+]
• Canonical SMILES: [O-]CCOCCOCC.N[Na].N[Na].[Na+]
• InChI: InChI=1S/C6H13O3.2H2N.3Na/c1-2-8-5-6-9-4-3-7;;;;;/h2-6H2,1H3;2*1H2;;;/q3*-1;3*+1
• InChIKey: ILQQRZWCWJCLHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium bis(sodiumamine) 2-(2-ethoxyethoxy)ethan-1-olate
• IUPAC Traditional name: sodium bis(sodiumamine) 2-(2-ethoxyethoxy)ethanolate
• Synonyms: Complex base from sodium amide/Diethylene glycol monoethyl ether sodium salt; Sodium amide-sodium 2-(2-ethoxyethoxy)ethoxide complex base solution; 由氨基钠/二乙二醇单乙醚形成的络合物碱 钠盐; 氨基钠-2-(2-乙氧基乙氧基)乙醇钠络合物碱 溶液

Database IDs

• MDL Number: MFCD00152977
• PubChem SID: 162250756; 24886155
• PubChem CID: 71312342

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.25572014
• LogD (pH = 7.4): -0.25572014
• Log P: -0.25572014
• Molar Refractivity: 45.6472 cm^3
• Polarizability: 13.533844 Å^3
• Polar Surface Area: 41.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1 °F; -17 °C
• Density: 0.93 g/mL at 20 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: -
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-34
• Safety Statements: 16-33-36/37/39-45
• RID/ADR: UN 2924 3/PG 2

Product Information

• Concentration: ~0.7 M in THF (suspension)
• Grade: technical
• Linear Formula: 2NaNH2 · CH3CH2(OCH2CH2)2ONa

DETAILS

Sigma Aldrich - 71272

Other Notes
Complex base employed to generate carbanions1