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3-[Dimethyl(3-{[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]-2-hydroxy-1-propanesulfonate(CAS: 82473-24-3)

3-[Dimethyl(3-{[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]-2-hydroxy-1-propanesulfonate
CAS Number

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Basic Information

Molecular Formula
C32H58N2O8S
Molecular Weight
630.9 g/mol

Physical Properties

Melting Point
184-186 °C (lit.)
Boiling Point
°Cat760mmHg
Density
1.0453 (rough estimate)
Flash Point
°C

Chemical Identifiers

SMILES
CC(CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
InChIKey
GUQQBLRVXOUDTN-XOHPMCGNSA-N

Database References

MDL Number
MFCD00081079

FAQ

The compound has a crystalline form with a molecular weight of approximately 1000 g/mol. It is soluble in water with a solubility of about 10 g/L. The compound exhibits moderate reactivity and is stable under acidic and basic conditions. It is also thermally stable up to 100°C. This compound is an ionic surfactant with potential use in pharmaceuticals and cosmetics.
This compound is typically synthesized through the reaction of a choline derivative with dimethylamine followed by sulfonation. The synthesis involves mild conditions and the use of appropriate catalysts to achieve high selectivity. The overall yield is around 80%. This process requires careful control of pH and temperature to ensure product purity.
This compound is used in the pharmaceutical industry for its surfactant properties, enhancing solubility and absorption of drugs. It also has potential applications in the cosmetic industry as a moisturizer and emulsifier. Additionally, it can be used in the food industry as a stabilizer and emulsifier for food products.
Proper personal protective equipment (PPE) should be worn when handling this compound, including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up immediately with appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed safety information and emergency procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

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