3-Cyano-5-methylhexanoic acid | CAS No. 181289-16-7

3-Cyano-5-methylhexanoic acid

Basic Information

CAS Number

181289-16-7

Molecular Formula

C8H13NO2

Molecular Weight

155.19 g/mol

AD

Basic Physical Properties

CC(C)CC(CC(=O)O)C#N

InChI

InChI=1S/C8H16O2/c1-6(2)4-7(3)5-8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)

InChIKey

KTWWTCBUJPAASC-UHFFFAOYSA-N

LogP

2.1433

Topological Polar Surface Area

37.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

178

Synonyms & References

English

  • 3-Cyano-5-methylhexanoic Acid
  • Pregabalin Impurity 26
  • Pregabalin Cyano Acid IMpurity
  • 3-cyano-5-methylhexanoic acid
  • SB45404
  • racemic 3-cyano-5-methyl-hexanoic acid
  • 181289-16-7
  • (+/-)-3-cyano-5-methylhexanoic acid
  • MGWZYUMZVZMKTN-UHFFFAOYSA-N
  • 3-cyano-5-methylhexanoicacid
  • CS-0448793
  • SCHEMBL16694

MDL Number

MFCD20645910

FAQ

What regulatory guidelines apply to 3-Cyano-5-methylhexanoic acid (CAS: 181289-16-7)?

3-Cyano-5-methylhexanoic acid (CAS: 181289-16-7) falls under the classification criteria of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). It is also subject to the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulations in the European Union. In the United States, it is regulated by the FDA for use in pharmaceuticals and by the EPA for environmental concerns. Ensuring compliance with these regulations is crucial for handling, storage, and disposal of the compound.

Are there alternatives to 3-Cyano-5-methylhexanoic acid (CAS: 181289-16-7) in synthesis?

There are several alternative reagents that can be used in place of 3-Cyano-5-methylhexanoic acid (CAS: 181289-16-7) depending on the specific needs of the synthesis. Common alternatives include other carboxylic acids, cyano derivatives, and methylated compounds. The choice of alternative will depend on the desired properties of the final product and the reaction conditions.

What is the market or research trend for 3-Cyano-5-methylhexanoic acid (CAS: 181289-16-7)?

The market for 3-Cyano-5-methylhexanoic acid (CAS: 181289-16-7) is primarily driven by its use in the pharmaceutical and polymer industries. Research trends indicate a growing interest in its applications for drug development and as a monomer in polymer synthesis. Recent studies also explore its potential in environmental remediation due to its unique chemical properties.

How should waste containing 3-Cyano-5-methylhexanoic acid (CAS: 181289-16-7) be handled?

Waste containing 3-Cyano-5-methylhexanoic acid (CAS: 181289-16-7) should be collected in appropriate containers and stored in a well-ventilated area. For safe disposal, incineration is recommended, but this should be done by a licensed professional to ensure it meets environmental standards. Additionally, proper environmental protection measures, such as spill containment and neutralization, should be followed to prevent contamination of soil and water sources.

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