dimethyldioctylazanium chloride

• ChemBase ID: 287199
• Molecular Formular: C18H40ClN
• Molecular Mass: 305.9699
• Monoisotopic Mass: 305.28492797
• SMILES: CCCCCCCC[N+](C)(C)CCCCCCCC.[Cl-]
• Canonical SMILES: CCCCCCCC[N+](CCCCCCCC)(C)C.[Cl-]
• InChI: InChI=1S/C18H40N.ClH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
• InChIKey: FARBQUXLIQOIDY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyldioctylazanium chloride
• IUPAC Traditional name: dimethyldioctylazanium chloride
• Synonyms: N,N-Dimethyl-N-octyloctan-1-aminium chloride

Database IDs

• CAS Number: 5538-94-3
• MDL Number: MFCD01711139
• PubChem SID: 180672730
• PubChem CID: 62581

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.23218
• LogD (pH = 7.4): 2.23218
• Log P: 2.23218
• Molar Refractivity: 100.4569 cm^3
• Polarizability: 35.428406 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%