ethylbis(propan-2-yl)amine borane

• ChemBase ID: 147990
• Molecular Formular: C8H22BN
• Molecular Mass: 143.07798
• Monoisotopic Mass: 143.18453011
• SMILES: B.CCN(C(C)C)C(C)C
• Canonical SMILES: CCN(C(C)C)C(C)C.B
• InChI: InChI=1S/C8H19N.BH3/c1-6-9(7(2)3)8(4)5;/h7-8H,6H2,1-5H3;1H3
• InChIKey: DWXQHSSGDGWIMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethylbis(propan-2-yl)amine borane
• IUPAC Traditional name: N,N-diisopropylethylamine borane
• Synonyms: Diisopropylethylamine borane; Borane N,N-diisopropylethylamine complex; N,N-二异丙基乙胺硼烷络合物

Database IDs

• CAS Number: 88996-23-0
• MDL Number: MFCD00013185
• PubChem SID: 162242170; 24855263
• PubChem CID: 11789314

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.3996065
• LogD (pH = 7.4): -1.0124657
• Log P: 2.0937433
• Molar Refractivity: 43.0715 cm^3
• Polarizability: 17.036163 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 15-17 °C(lit.)
• Flash Point: 104 °F; 40 °C
• Density: 0.822 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.46(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-34
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2920 8/PG 2

Product Information

• Linear Formula: [(CH3)2CH]2NC2H5·BH3

DETAILS

Sigma Aldrich - 253111

Packaging
25 g in Sure/Seal™
Application
Reactant for:
• Preparation of modifiable bidentate systems via nitrogen-carbon rearrangement1
• Preparation of bioactive boranophosphonic acids2
• Preparation of precursors for synthesis of boronated oligonucleotide sequences3
• Synthesis of dithymidine boranophosphate via the oxathiaphospholane approach4
• Preparation of adenosine boranothiotriphosphate ribonucleoside and thymidine boranothiotriphosphate deoxyribonucleoside5
• Preparation of borane-amine complexes6