lithium(1+) ion morpholin-4-ylboranuide

• ChemBase ID: 142612
• Molecular Formular: C4H10BLiNO
• Molecular Mass: 105.8803
• Monoisotopic Mass: 106.1015489
• SMILES: [Li+].[BH2-]N1CCOCC1
• Canonical SMILES: [BH2-]N1CCOCC1.[Li+]
• InChI: InChI=1S/C4H11BNO.Li/c5-6-1-3-7-4-2-6;/h1-4H2,5H3;/q-1;+1
• InChIKey: FHKYRXRJDHFNMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion morpholin-4-ylboranuide
• IUPAC Traditional name: lithium(1+) ion morpholin-4-ylboranuide
• Synonyms: Lithium morpholinoborohydride solution; 吗啉代硼氢化锂 溶液

Database IDs

• CAS Number: 144240-18-6
• MDL Number: MFCD07784406
• PubChem SID: 24884341; 162236838
• PubChem CID: 23680083

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -5.283398
• LogD (pH = 7.4): -4.584584
• Log P: -2.0324
• Molar Refractivity: 25.3679 cm^3
• Polarizability: 11.942648 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 0 °F; -17 °C
• Density: 0.877 g/mL at 25 °C
• Refractive Index: n20/D 1.489

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: -
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 11-14/15-34
• Safety Statements: 7-16-26-43.12-45
• RID/ADR: UN 3399 4.3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 1 M in THF
• Empirical Formula (Hill Notation): C4H11BLiNO

DETAILS

Sigma Aldrich - 658308

Application
Capable of reducing a variety of fuctional groups.3,4,5,4
LABs can transfer the amine moiety, as in the case of the reaction with halopyridines and primary alkyl methanesulfonates.1,2
Lithium Aminoborohydride (LAB) Reagents
• Reagent for reduction-amination reactions1,2
Packaging
25, 100 mL in Sure/Seal™