[(4-ethylphenyl)methyl]trimethylazanium silanone chloride

• ChemBase ID: 138248
• Molecular Formular: C12H22ClNOSi
• Molecular Mass: 259.84768
• Monoisotopic Mass: 259.11591854
• SMILES: CCc1ccc(cc1)C[N+](C)(C)C.O=[SiH2].[Cl-]
• Canonical SMILES: CCc1ccc(cc1)C[N+](C)(C)C.O=[SiH2].[Cl-]
• InChI: InChI=1S/C12H20N.ClH.H2OSi/c1-5-11-6-8-12(9-7-11)10-13(2,3)4;;1-2/h6-9H,5,10H2,1-4H3;1H;2H2/q+1;;/p-1
• InChIKey: RWAWNKKUDKCEQZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-ethylphenyl)methyl]trimethylazanium silanone chloride
• IUPAC Traditional name: [(4-ethylphenyl)methyl]trimethylazanium silicon monoxide chloride
• Synonyms: BTMA-chloride-2 functionalized silica gel; 2-(4-Benzyltrimethylammonium)ethyl-functionalized silica gel, chloride; 苄基三甲基氯化铵-2官能化硅胶; 2-(4-苄基三甲基铵)乙基官能化氯化硅胶

Database IDs

• MDL Number: MFCD03095875
• PubChem SID: 162232505
• PubChem CID: 45052173

CALCULATED PROPERTIES

• Acid pKa: 18.3722
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.289704
• LogD (pH = 7.4): -1.289704
• Log P: -1.289704
• Molar Refractivity: 70.1565 cm^3
• Polarizability: 22.8147 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Particle Size: 200-400 mesh
• Pore Size: 60 Å pore size
• Surface Area: 500 m2/g
• Extent of Labeling: 1.1 mmol/g per 14% carbon loading

DETAILS

Sigma Aldrich - 552860

Application
Strong anion exchange gel.