tributyl(methyl)azanium oxidanide

• ChemBase ID: 150998
• Molecular Formular: C13H31NO
• Molecular Mass: 217.39134
• Monoisotopic Mass: 217.24056462
• SMILES: CCCC[N+](C)(CCCC)CCCC.[OH-]
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)C.[OH-]
• InChI: InChI=1S/C13H30N.H2O/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H2/q+1;/p-1
• InChIKey: QVOFCQBZXGLNAA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(methyl)azanium oxidanide
• IUPAC Traditional name: tributyl(methyl)azanium oxidanide
• Synonyms: Methyltributylammonium hydroxide; Tributylmethylammonium hydroxide solution; 甲基三丁基氢氧化铵; 三丁基甲基氢氧化铵 溶液

Database IDs

• CAS Number: 32680-30-1
• MDL Number: MFCD00043104
• PubChem SID: 24874261; 162245157; 24889409
• PubChem CID: 36208

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -4.701068E-4
• LogD (pH = 7.4): -4.701068E-4
• Log P: -4.701068E-4
• Molar Refractivity: 77.5225 cm^3
• Polarizability: 26.193508 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: yellow
• Boiling Point: 102 °C
• Flash Point: 132.8 °F; 56 °C
• Density: 0.993 g/mL at 25 °C
• Refractive Index: n20/D 1.374

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 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

• Concentration: ~40% in H2O (1.85 M); 20 wt. % in H2O
• Grade: purum
• Linear Formula: [CH3(CH2)3]3N(OH)CH3

DETAILS

Sigma Aldrich - 522287

Packaging
250 mL in glass bottle