tetrahexylazanium perchlorate

• ChemBase ID: 303142
• Molecular Formular: C24H52ClNO4
• Molecular Mass: 454.12698
• Monoisotopic Mass: 453.35848683
• SMILES: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[O-][Cl](=O)(=O)=O
• Canonical SMILES: [O-][Cl](=O)(=O)=O.CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
• InChI: InChI=1S/C24H52N.ClHO4/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;2-1(3,4)5/h5-24H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
• InChIKey: RLCKPGXHGKSGOS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrahexylazanium perchlorate
• IUPAC Traditional name: tetrahexylazanium perchlorate
• Synonyms: Tetra-n-hexylammonium perchlorate; 四正己基高氯酸铵

Database IDs

• CAS Number: 4656-81-9
• EC Number: 225-095-8
• MDL Number: MFCD00043185

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.879978
• LogD (pH = 7.4): 4.879978
• Log P: 4.879978
• Molar Refractivity: 128.2041 cm^3
• Polarizability: 46.510445 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: UN1479
• Hazard Class: 5.1
• Packing Group: II
• Risk Statements: 5-8-36/37/38
• Safety Statements: 17-26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS07
• GHS Hazard statements: H272-H315-H319-H335
• GHS Precautionary statements: P221-P210-P305+P351+P338-P302+P352-P405-P501A