lithium(1+) ion bis(propan-2-yl)azanide

• ChemBase ID: 128080
• Molecular Formular: C6H14LiN
• Molecular Mass: 107.12306
• Monoisotopic Mass: 107.128629
• SMILES: [Li+].[N-](C(C)C)C(C)C
• Canonical SMILES: CC([N-]C(C)C)C.[Li+]
• InChI: InChI=1S/C6H14N.Li/c1-5(2)7-6(3)4;/h5-6H,1-4H3;/q-1;+1
• InChIKey: ZCSHNCUQKCANBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion bis(propan-2-yl)azanide
• IUPAC Traditional name: lithium(1+) ion diisopropylazanide
• Synonyms: LDA; Lithium diisopropylamide

Database IDs

• CAS Number: 4111-54-0
• PubChem SID: 162222395
• PubChem CID: 2724682
• Chemspider ID: 2006804
• Wikipedia Title: Lithium_diisopropylamide

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.8835524
• LogD (pH = 7.4): -1.6228405
• Log P: 1.3538874
• Molar Refractivity: 32.4282 cm^3
• Polarizability: 12.642111 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts with water
• Density: 0.79 g/cm3
• pKa: 36 (THF)

Safety Information

• Main Hazard: corrosive