bis(silanone) bis(trimethyl(propyl)azanium) carbonate

• ChemBase ID: 149508
• Molecular Formular: C13H36N2O5Si2
• Molecular Mass: 356.60634
• Monoisotopic Mass: 356.21627533
• SMILES: CCC[N+](C)(C)C.CCC[N+](C)(C)C.C(=O)([O-])[O-].O=[SiH2].O=[SiH2]
• Canonical SMILES: [O-]C(=O)[O-].CCC[N+](C)(C)C.CCC[N+](C)(C)C.O=[SiH2].O=[SiH2]
• InChI: InChI=1S/2C6H16N.CH2O3.2H2OSi/c2*1-5-6-7(2,3)4;2-1(3)4;2*1-2/h2*5-6H2,1-4H3;(H2,2,3,4);2*2H2/q2*+1;;;/p-2
• InChIKey: WMFSAHWNSGLABT-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(silanone) bis(trimethyl(propyl)azanium) carbonate
• IUPAC Traditional name: bis(nervonyl carnitine) bis(silicon monoxide) carbonate
• Synonyms: TMA carbonate-3 functionalized silica gel; 3-(Trimethylammonium)propyl-functionalized silica gel, carbonate; TMA碳酸盐-3官能化硅胶; 3-(三甲基铵)丙基-官能化硅胶, 碳酸盐

Database IDs

• MDL Number: MFCD03095973
• PubChem SID: 24879293; 162243673
• PubChem CID: 16217120

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.0928369
• LogD (pH = 7.4): -3.0928369
• Log P: -3.0928369
• Molar Refractivity: 45.1743 cm^3
• Polarizability: 13.265366 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• 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: 0.8 mmol/g loading

DETAILS

Sigma Aldrich - 552887

Application
Silica-bound base and acid scavenger including acidic phenols.
Packaging
5, 25, 100 g in glass bottle