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(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate sulfate hydrate (2:1:1)(CAS: 5908-99-6)

(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate sulfate hydrate (2:1:1)
CAS Number

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Basic Information

Molecular Formula
C34H50N2O11S
Molecular Weight
403.45 g/mol

Physical Properties

Melting Point
187 ºC
Boiling Point
429.8°Cat760mmHg
Flash Point
213.7°C

Chemical Identifiers

SMILES
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.OS(=O)(=O)O
InChIKey
JPKKQJKQTPNWTR-CHYDPLAESA-N

Database References

MDL Number
MFCD00074815
Beilstein Registry Number
6109275

FAQ

This compound is a complex organic sulfate ester featuring a bicyclic amine structure with an 8-methyl group and a 3-hydroxy-2-phenylpropanoate moiety. It contains a sulfate group and hydrate (2:1:1) ratio, making it a versatile pharmaceutical intermediate. Its chemical formula includes carbon, hydrogen, nitrogen, oxygen, sulfur, and water, with properties such as solubility in polar solvents and stability under controlled conditions.
Primarily used in pharmaceutical research for drug development, this compound serves as an intermediate in synthesizing bioactive molecules. It may also find applications in industrial processes requiring sulfate ester functionality and in organic synthesis as a reagent. Its unique structure makes it relevant for studies involving enzyme inhibition or medicinal chemistry.
Safety depends on proper handling and exposure levels. While no specific toxicity data is widely documented, it should be treated as a chemical with potential irritant properties. Always follow safety data sheets (SDS) and use protective gear like gloves and goggles. Adherence to standard laboratory safety protocols is recommended for its use in research or industrial settings.
Store in a cool, dry place (below 25°C), away from moisture and light. Keep in a sealed, airtight container to maintain the hydrate (2:1:1) ratio. Avoid exposure to humidity and ensure storage conditions prevent decomposition. Maintain stability by keeping it in a controlled environment as per chemical storage guidelines.

Safety Notice

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

Always follow proper handling procedures

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