bis(decyl)dimethylazanium chloride

• ChemBase ID: 126997
• Molecular Formular: C22H48ClN
• Molecular Mass: 362.07622
• Monoisotopic Mass: 361.34752822
• SMILES: [Cl-].C(CCCCC[N+](C)(CCCCCCCCCC)C)CCCC
• Canonical SMILES: CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-]
• InChI: InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
• InChIKey: RUPBZQFQVRMKDG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(decyl)dimethylazanium chloride
• IUPAC Traditional name: didecyl-dimethyl-ammonium chloride
• Synonyms: Didecyldimethylammonium chloride; N-Decyl-N,N-dimethyldecan-1-aminium chloride

Database IDs

• CAS Number: 7173-51-5
• MDL Number: MFCD00066262
• PubChem SID: 162221320
• PubChem CID: 23558
• ATC CODE: D08AJ06
• CHEMBL: 224987
• Chemspider ID: 22027
• Unique Ingredient Identifier: JXN40O9Y9B
• Wikipedia Title: Didecyldimethylammonium_chloride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0104547
• LogD (pH = 7.4): 4.0104547
• Log P: 4.0104547
• Molar Refractivity: 118.8609 cm^3
• Polarizability: 42.816418 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Density: 0.95 g/cm^3 (20 °C)

Safety Information

• Main Hazard: corrosive

Product Information

• Purity: 95+%