Homosibutramine

Basic Information

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CAS Number

935888-80-5

Molecular Formula

C18H28ClN

Molecular Weight

293.88 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CCN(C)C(CC(C)C)C1(CCC1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H28ClN/c1-5-20(4)17(13-14(2)3)18(11-6-12-18)15-7-9-16(19)10-8-15/h7-10,14,17H,5-6,11-13H2,1-4H3

InChIKey

NZPIBRZKTJQXPY-UHFFFAOYSA-N

LogP

5.128100000000005

Topological Polar Surface Area

3.24 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

290

Synonyms & References

English

Homosibutramine
Q27277782
1-(4-Chlorophenyl)-N-ethyl-N-methyl-alpha-(2-methylpropyl)-1-cyclobutanemethaneamine
1-(4-Chlorophenyl)-N-ethyl-N-methyl-alpha-(2-methylpropyl)cyclobutanemethanamine
Cyclobutanemethanamine, 1-(4-chlorophenyl)-N-ethyl-N-methyl-alpha-(2-methylpropyl)-
DTXSID601317080
UNII-F7UHJ0JDFR
1-[1-(4-chlorophenyl)cyclobutyl]-N-ethyl-N,3-dimethylbutan-1-amine
935888-80-5
1-(4-CHLOROPHENYL)-N-ETHYL-N-METHYL-.ALPHA.-(2-METHYLPROPYL)CYCLOBUTANEMETHANAMINE
F7UHJ0JDFR
CYCLOBUTANEMETHANAMINE, 1-(4-CHLOROPHENYL)-N-ETHYL-N-METHYL-.ALPHA.-(2-METHYLPROPYL)-

FAQ

What are the physical and chemical properties of Homosibutramine (CAS: 935888-80-5)?

Homosibutramine (CAS 935888-80-5) is a crystalline compound with a molecular weight of approximately 262.4 g/mol. It has a solubility of about 0.1 g/L in water and is only slightly soluble in common organic solvents. Homosibutramine is not highly reactive under normal conditions but can undergo hydrolysis under acidic or basic conditions.

How is Homosibutramine (CAS: 935888-80-5) typically synthesized?

Homosibutramine (CAS 935888-80-5) is typically synthesized via a multi-step process involving aromatic substitution and alkylation reactions. Commonly, a benzene ring is first substituted with an appropriate functional group, followed by alkylation with a butyl derivative to introduce the butyl chain. The process requires the use of specific catalysts and solvents to achieve the desired selectivity and yield.

What industries use Homosibutramine (CAS: 935888-80-5)?

Homosibutramine (CAS 935888-80-5) is primarily used in the pharmaceutical industry for research purposes, particularly in the development of certain drugs. Though it has not been used in commercial pharmaceuticals, it is of interest due to its structural similarities to other psychoactive compounds.

What precautions should be taken when handling Homosibutramine (CAS: 935888-80-80-5)?

When handling Homosibutramine (CAS 935888-80-5), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up using appropriate absorbent materials, and the area should be decontaminated. Safety data sheets (SDS) should be consulted for detailed handling and storage instructions.