trimethylindigane

• ChemBase ID: 130009
• Molecular Formular: C3H9In
• Molecular Mass: 159.92156
• Monoisotopic Mass: 159.97430329
• SMILES: C[In](C)C
• Canonical SMILES: C[In](C)C
• InChI: InChI=1S/3CH3.In/h3*1H3
• InChIKey: IBEFSUTVZWZJEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethylindigane
• IUPAC Systematic name: Trimethylindigane
• IUPAC Traditional name: trimethylindium
• Synonyms: Trimethylindane; indium trimethyl; Trimethylindium

Database IDs

• CAS Number: 3385-78-2
• EC Number: 222-200-9
• PubChem SID: 162224295
• PubChem CID: 76919
• Chemspider ID: 69370
• Wikipedia Title: Trimethylindium

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.729
• LogD (pH = 7.4): 0.729
• Log P: 0.729
• Molar Refractivity: 16.6473 cm^3
• Polarizability: 11.430017 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts in water
• Apperance: White, opaque crystals
• Melting Point: 88°C
• Boiling Point: 134°C (decomposes above 101 °C)
• Density: 1.568 g cm^-3 (at 20 °C)
• Std enthalpy of formation: 150.5-169.7 kJ mol^-1

Safety Information

• Main Hazard: Pyrophoric