bis(2-methylpropyl)alumanyl

• ChemBase ID: 91275
• Molecular Formular: C8H18Al
• Molecular Mass: 141.210058
• Monoisotopic Mass: 141.12238921
• SMILES: [Al](CC(C)C)CC(C)C
• Canonical SMILES: CC(C[Al]CC(C)C)C
• InChI: InChI=1S/2C4H9.Al/c2*1-4(2)3;/h2*4H,1H2,2-3H3
• InChIKey: SIPUZPBQZHNSDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-methylpropyl)alumanyl
• IUPAC Traditional name: bis(2-methylpropyl)alumanyl
• Synonyms: DIBAH; Diisobutylaluminium hydride 1.0 M solution in methylene chloride

Database IDs

• CAS Number: 1191-15-7
• MDL Number: MFCD00008928
• PubChem SID: 162077979
• PubChem CID: 16682954

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1488
• LogD (pH = 7.4): 4.1488
• Log P: 4.1488
• Molar Refractivity: 38.685 cm^3
• Polarizability: 17.626188 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.230g/ml at 25°C

Safety Information

• Storage Warning: Highly Flammable/Corrosive/Heat Sensitive/Air Sensitive/Store under inert gas