tetrabutylazanium; tetrabutylboranuide

• ChemBase ID: 148529
• Molecular Formular: C32H72BN
• Molecular Mass: 481.73178
• Monoisotopic Mass: 481.57578171
• SMILES: [B-](CCCC)(CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[B-](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/C16H36B.C16H36N/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h2*5-16H2,1-4H3/q-1;+1
• InChIKey: LUQGURIOJLNCGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutylazanium; tetrabutylboranuide
• IUPAC Traditional name: tetrabutylammonium; tetrabutylboranuide
• Synonyms: Tetrabutylammonium tetrabutylborate; 四丁基硼酸四丁基铵

Database IDs

• CAS Number: 23231-91-6
• MDL Number: MFCD00061526
• Beilstein Number: 4171555
• PubChem SID: 162242704; 24871346
• PubChem CID: 11123692

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.45
• LogD (pH = 7.4): 5.45
• Log P: 5.45
• Molar Refractivity: 77.2716 cm^3
• Polarizability: 32.702877 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 106-109 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: [CH3(CH2)3]4N[B[(CH2)3CH3]4]

DETAILS

Sigma Aldrich - 477230

Packaging
5 g in glass bottle