lithium(1+) ion (dimethylamino)boranuide

• ChemBase ID: 142611
• Molecular Formular: C2H8BLiN
• Molecular Mass: 63.84362
• Monoisotopic Mass: 64.09098421
• SMILES: [Li+].[BH2-]N(C)C
• Canonical SMILES: [BH2-]N(C)C.[Li+]
• InChI: InChI=1S/C2H9BN.Li/c1-4(2)3;/h1-3H3;/q-1;+1
• InChIKey: CEDUMRZWZLVFKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion (dimethylamino)boranuide
• IUPAC Traditional name: lithium(1+) ion (dimethylamino)boranuide
• Synonyms: Lithium trihydro(N-methylmethanaminato)borate; N-Methylmethanamine boron complex; Lithium (dimethylamino)trihydroborate; Lithium dimethylaminoborohydride solution; (二甲氨基)三氢硼酸锂; N-甲基甲胺硼络合物; 二甲氨基硼氢化锂 溶液

Database IDs

• CAS Number: 53042-33-4
• MDL Number: MFCD07784404
• PubChem SID: 162236837; 24884338
• PubChem CID: 23680082

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.6968507
• LogD (pH = 7.4): -1.6898894
• Log P: -1.6898
• Molar Refractivity: 16.2934 cm^3
• Polarizability: 8.367414 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 0 °F; -17 °C
• Density: 0.882 g/mL at 25 °C
• Refractive Index: n20/D 1.423

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 1
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14/15-19-34
• Safety Statements: 16-26-29-33-36/37/39-43.4-45
• RID/ADR: UN 3399 4.3/PG 1
• Storage Temperature: 2-8°C

Product Information

• Concentration: 1 M in THF
• Empirical Formula (Hill Notation): C2H9BLiN

DETAILS

Sigma Aldrich - 658235

Application
Capable of reducing a variety of fuctional groups.5,6,7,6
LABs can transfer the amine moiety, as in the case of the reaction with halopyridines and primary alkyl methanesulfonates.
Lithium Aminoborohydride (LAB) ReagentsReactant for:
• B-H oxidative addition reactions1
• Reduction and amination reactions2
• Reduction of N-alkyl lactams3
• Synthesis of tertiary amine-boranes4
Packaging
25, 100 mL in Sure/Seal™