lithium(1+) ion tris(propan-2-yloxy)(pyridin-2-yl)boranuide

• ChemBase ID: 136622
• Molecular Formular: C14H25BLiNO3
• Molecular Mass: 273.1052
• Monoisotopic Mass: 273.20875362
• SMILES: [Li+].[B-](c1ccccn1)(OC(C)C)(OC(C)C)OC(C)C
• Canonical SMILES: CC(O[B-](c1ccccn1)(OC(C)C)OC(C)C)C.[Li+]
• InChI: InChI=1S/C14H25BNO3.Li/c1-11(2)17-15(18-12(3)4,19-13(5)6)14-9-7-8-10-16-14;/h7-13H,1-6H3;/q-1;+1
• InChIKey: TWTLFOWAEPOZKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion tris(propan-2-yloxy)(pyridin-2-yl)boranuide
• IUPAC Traditional name: lithium(1+) ion triisopropoxy(pyridin-2-yl)boranuide
• Synonyms: Lithium (pyridin-2-yl)triisopropoxy borate; Lithium tris(2-propanolato)-2-pyridinylborate; Lithium (2-pyridinyl)triisopropoxyborate

Database IDs

• CAS Number: 213764-22-8
• MDL Number: MFCD16872057
• PubChem SID: 162230892
• PubChem CID: 24905729

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5325854
• LogD (pH = 7.4): 2.1418679
• Log P: 3.3308
• Molar Refractivity: 72.2738 cm^3
• Polarizability: 30.438889 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >250 °C

Safety Information

• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C14H25BLiNO3

DETAILS

Sigma Aldrich - 739464

包装
1 g in glass bottle