tetraoctadecylazanium oxidanide

• ChemBase ID: 156592
• Molecular Formular: C72H149NO
• Molecular Mass: 1044.95956
• Monoisotopic Mass: 1044.16391839
• SMILES: CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.[OH-]
• Canonical SMILES: CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.[OH-]
• InChI: InChI=1S/C72H148N.H2O/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;/h5-72H2,1-4H3;1H2/q+1;/p-1
• InChIKey: HNRXDBMBQAOWFV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraoctadecylazanium oxidanide
• IUPAC Traditional name: tetraoctadecylazanium oxidanide
• Synonyms: Tetraoctadecylammonium hydroxide solution; 四(十八烷基)氢氧化铵 溶液

Database IDs

• CAS Number: 137044-24-7
• MDL Number: MFCD00216750
• PubChem SID: 162250729; 24889021
• PubChem CID: 16218663

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 26.219275
• LogD (pH = 7.4): 26.219275
• Log P: 26.219275
• Molar Refractivity: 349.0521 cm^3
• Polarizability: 135.16801 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 68
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 11 °C; 51.8 °F

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 3286
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25-34-39/23/24/25
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301 + H311 + H331-H314-H370
• GHS Precautionary statements: P210-P260-P280-P301 + P310-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 3286 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: ~20% in methanol (T)
• Impurities: ≤0.05% halogenides
• Linear Formula: [CH3(CH2)17]4N(OH)

DETAILS

Sigma Aldrich - 87984

Application
Isomerically pure, extremely lipophilic base
Caution
product can crystallize out of solution, can be redissolved on heating to 30°C