tetrapentylazanium oxidanide

• ChemBase ID: 152784
• Molecular Formular: C20H45NO
• Molecular Mass: 315.5774
• Monoisotopic Mass: 315.35011507
• SMILES: CCCCC[N+](CCCCC)(CCCCC)CCCCC.[OH-]
• Canonical SMILES: CCCCC[N+](CCCCC)(CCCCC)CCCCC.[OH-]
• InChI: InChI=1S/C20H44N.H2O/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H2/q+1;/p-1
• InChIKey: JVOPCCBEQRRLOJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrapentylazanium oxidanide
• IUPAC Traditional name: tetrapentylammonium oxidanide
• Synonyms: Tetrapentylammonium hydroxide solution; 四戊基氢氧化铵 溶液

Database IDs

• CAS Number: 4598-61-2
• MDL Number: MFCD00210103
• Beilstein Number: 6785584
• PubChem SID: 162246927; 24889037
• PubChem CID: 14325059

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1017036
• LogD (pH = 7.4): 3.1017036
• Log P: 3.1017036
• Molar Refractivity: 109.8001 cm^3
• Polarizability: 39.122406 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3267
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: 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 3267 8/PG 2

Product Information

• Concentration: ~20% in H2O (T)
• Impurities: ≤0.05% halides (as bromide)
• Antion Traces: sulfate (SO42-): ≤500 mg/kg
• Linear Formula: [CH3(CH2)4]4N(OH)

DETAILS

Sigma Aldrich - 88005

Packaging
25, 100 mL in poly bottle