tetraoctylazanium chloride

• ChemBase ID: 151991
• Molecular Formular: C32H68ClN
• Molecular Mass: 502.34202
• Monoisotopic Mass: 501.50402886
• SMILES: CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Cl-]
• Canonical SMILES: CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Cl-]
• InChI: InChI=1S/C32H68N.ClH/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;/h5-32H2,1-4H3;1H/q+1;/p-1
• InChIKey: SNNIPOQLGBPXPS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraoctylazanium chloride
• IUPAC Traditional name: tetraoctylazanium chloride
• Synonyms: Tetraoctylammonium chloride; 四辛基氯化铵

Database IDs

• CAS Number: 3125-07-3
• MDL Number: MFCD00210102
• Beilstein Number: 4169201
• PubChem SID: 162246137; 24889026
• PubChem CID: 11996614

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: 50-54 °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: ≥97.0% (AT)
• Linear Formula: [CH3(CH2)7]4N(Cl)

DETAILS

Sigma Aldrich - 87991

Packaging
5 g in glass bottle