1-dodecylpyridin-1-ium chloride

• ChemBase ID: 108067
• Molecular Formular: C17H30ClN
• Molecular Mass: 283.8798
• Monoisotopic Mass: 283.20667765
• SMILES: [Cl-].CCCCCCCCCCCC[n+]1ccccc1
• Canonical SMILES: CCCCCCCCCCCC[n+]1ccccc1.[Cl-]
• InChI: InChI=1S/C17H30N.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1
• InChIKey: GKQHIYSTBXDYNQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-dodecylpyridin-1-ium chloride
• IUPAC Traditional name: 1-dodecylpyridin-1-ium chloride
• Synonyms: LAURYLPYRIDINIUM CHLORIDE TECHNICAL GRADE

Database IDs

• CAS Number: 104-74-5
• EC Number: 203-232-2
• PubChem SID: 162094083
• PubChem CID: 7717

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6926534
• LogD (pH = 7.4): 1.6926534
• Log P: 1.6926534
• Molar Refractivity: 80.7381 cm^3
• Polarizability: 31.7729 Å^3
• Polar Surface Area: 3.88 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150°C
• Density: 0.99 g/ml

Safety Information

• RTECS: UU4017070

Product Information

• Grade: TECHNICAL

DETAILS

MP Biomedicals - 05205951

MP Biomedicals Rare Chemical collection