didodecyldimethylazanium chloride

• ChemBase ID: 287180
• Molecular Formular: C26H56ClN
• Molecular Mass: 418.18254
• Monoisotopic Mass: 417.41012848
• SMILES: CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)C.[Cl-]
• Canonical SMILES: CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(C)C.[Cl-]
• InChI: InChI=1S/C26H56N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1
• InChIKey: WLCFKPHMRNPAFZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: didodecyldimethylazanium chloride
• IUPAC Traditional name: didodecyldimethylazanium chloride
• Synonyms: N-Dodecyl-N,N-dimethyldodecan-1-aminium chloride

Database IDs

• CAS Number: 3401-74-9
• MDL Number: MFCD00038724
• PubChem SID: 180672711
• PubChem CID: 18843

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.7887297
• LogD (pH = 7.4): 5.7887297
• Log P: 5.7887297
• Molar Refractivity: 137.2649 cm^3
• Polarizability: 50.20448 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 22
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%