lithium(1+) ion tetrakis(dibutylamino)alumanuide

• ChemBase ID: 302077
• Molecular Formular: C32H72AlLiN4
• Molecular Mass: 546.863418
• Monoisotopic Mass: 546.5732415
• SMILES: [Li+].CCCCN(CCCC)[Al-](N(CCCC)CCCC)(N(CCCC)CCCC)N(CCCC)CCCC
• Canonical SMILES: CCCCN([Al-](N(CCCC)CCCC)(N(CCCC)CCCC)N(CCCC)CCCC)CCCC.[Li+]
• InChI: InChI=1S/4C8H18N.Al.Li/c4*1-3-5-7-9-8-6-4-2;;/h4*3-8H2,1-2H3;;/q4*-1;+3;+1
• InChIKey: ISBVOXPIPNIBOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion tetrakis(dibutylamino)alumanuide
• IUPAC Traditional name: lithium(1+) ion tetrakis(dibutylamino)alumanuide
• Synonyms: Lithium aluminum di-n-butylamide, 0.16M soln. in 1,2-dimethoxyethane; 二正丁胺基铝锂, 0.16M 溶液. 溶于 1,2-二甲氧基乙烷

Database IDs

• CAS Number: 15405-86-4
• MDL Number: MFCD00051918

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3963335
• LogD (pH = 7.4): 3.7690213
• Log P: 10.262
• Molar Refractivity: 166.5624 cm^3
• Polarizability: 68.76319 Å^3
• Polar Surface Area: 12.96 Å^2
• Rotatable Bonds: 28
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -54°C
• Density: 0.860

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 60-61-11-19-20
• Safety Statements: 53-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Hazard statements: H224-H360-H332
• GHS Precautionary statements: P210-P241-P261-P303+P361+P353-P405-P501A

Product Information

• Concentration: 0.16M soln. in 1,2-dimethoxyethane

REFERENCES

• Reagent for determination of silanols: Anal. Chem., 39, 1623 (1967); Analysis of Silicones, A.L. Smith, Ed., Wiley, N.Y. (1974).