tetraoctylazanium nitrate

• ChemBase ID: 157900
• Molecular Formular: C32H68N2O3
• Molecular Mass: 528.89392
• Monoisotopic Mass: 528.52299405
• SMILES: CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[N+](=O)([O-])[O-]
• Canonical SMILES: [O-][N+](=O)[O-].CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
• InChI: InChI=1S/C32H68N.NO3/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;2-1(3)4/h5-32H2,1-4H3;/q+1;-1
• InChIKey: MJHKPBXGJMKYAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraoctylazanium nitrate
• IUPAC Traditional name: tetraoctylazanium nitrate
• Synonyms: Tetraoctylammonium nitrate; 四辛基硝酸铵

Database IDs

• CAS Number: 33734-52-0
• MDL Number: MFCD00525561
• Beilstein Number: 7108220
• PubChem SID: 162252036; 24889020
• PubChem CID: 16218662

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.436527
• LogD (pH = 7.4): 8.436527
• Log P: 8.436527
• Molar Refractivity: 165.0121 cm^3
• Polarizability: 61.286617 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 28
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 112-114 °C

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: ≥99.0%; ≥99.0% (NT)
• Grade: Selectophore™
• Impurities: ≤0.05% halides (as bromide)
• Linear Formula: [CH3(CH2)6CH2]4N(NO3)

DETAILS

Sigma Aldrich - 87983

General description
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Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH