tetradodecylazanium perchlorate

• ChemBase ID: 156847
• Molecular Formular: C48H100ClNO4
• Molecular Mass: 790.7649
• Monoisotopic Mass: 789.73408837
• SMILES: CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[O-][Cl](=O)(=O)=O
• Canonical SMILES: [O-][Cl](=O)(=O)=O.CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
• InChI: InChI=1S/C48H100N.ClHO4/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)5/h5-48H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
• InChIKey: UPKKOAUGTBGKAS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradodecylazanium perchlorate
• IUPAC Traditional name: tetradodecylazanium perchlorate
• Synonyms: Tetradodecylammonium perchlorate; 十二烷基高氯酸铵

Database IDs

• CAS Number: 62120-45-0
• EC Number: 263-416-3
• MDL Number: MFCD00043169
• Beilstein Number: 6469179
• PubChem SID: 162250984
• PubChem CID: 3017313

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: 116-120 °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

• Grade: purum
• Linear Formula: [CH3(CH2)10CH2]4N(ClO4)