tetradodecylazanium nitrate

• ChemBase ID: 158199
• Molecular Formular: C48H100N2O3
• Molecular Mass: 753.3192
• Monoisotopic Mass: 752.77339507
• SMILES: CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[N+](=O)([O-])[O-]
• Canonical SMILES: [O-][N+](=O)[O-].CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
• InChI: InChI=1S/C48H100N.NO3/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;2-1(3)4/h5-48H2,1-4H3;/q+1;-1
• InChIKey: AHQMUYHFUYRUJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradodecylazanium nitrate
• IUPAC Traditional name: tetradodecylazanium nitrate
• Synonyms: Tetradodecylammonium nitrate; 四(十二烷基)硝酸铵

Database IDs

• CAS Number: 63893-35-6
• EC Number: 264-548-4
• MDL Number: MFCD00467971
• PubChem SID: 162252335; 24888736
• PubChem CID: 3085281

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 15.549626
• LogD (pH = 7.4): 15.549626
• Log P: 15.549626
• Molar Refractivity: 238.6281 cm^3
• Polarizability: 90.83912 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 44
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 103-105 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 3
• Risk Statements: 11-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1325 4.1/PG 3

Product Information

• Purity: ≥99.0%; ≥99.0% (NT)
• Grade: Selectophore™
• Linear Formula: [CH3(CH2)10CH2]4N(NO3)

DETAILS

Sigma Aldrich - 87252

Application
Ion-pair suitable for a nitrate-selective field-effect transistor membrane.
General description
Visit our Sensor Applications portal to learn more.
Other Notes
Ion-pair suitable for a nitrate-selective field-effect transistor membrane1
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH