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3-Amino-4-[2,4-bis(trifluoromethyl)phenyl]butyric Acid

CAS 1391330-63-4Formula C12H11F6NO2MW 315.21PubChem 137332897

3-Amino-4-[2,4-bis(trifluoromethyl)phenyl]butyric Acid is a fluorinated amino acid derivative with a molecular formula of C12H11F6NO2 and a molecular weight of 315.21. Classified as a research-oriented/research-oriented compound, it holds potential for use in medicinal chemistry and drug discovery research as a synthetic building block.

Loading RDKit molecule structure...
InChIKey: OJCHACUSRJFHOJ-UHFFFAOYSA-NC12H11F6NO2 | MW 315.21

Chemical Identity

Molecular Formula

C12H11F6NO2

Molecular Weight

315.21 g/mol

Exact Mass

315.069398

PubChem CID

137332897

IUPAC Name

3-amino-4-[2,4-bis(trifluoromethyl)phenyl]butanoic acid

SMILES String

NC(CC(=O)O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F

Names & Synonyms

3-Amino-4-[2,4-bis(trifluoromethyl)phenyl]butyricAcid3-Amino-4-(2,4-bis(trifluoromethyl)phenyl)butanoic acid
External Identifiers
MFCD22521651AKOS037630426SY225106

Catalog Overview

3-Amino-4-[2,4-bis(trifluoromethyl)phenyl]butyric Acid, identified by CAS number 1391330-63-4, is an organic compound featuring an amino acid backbone substituted with a 2,4-bis(trifluoromethyl)phenyl group. Its molecular formula is C12H11F6NO2, with an exact mass of 315. 069398 and a molecular weight of 315. 21 g/mol.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

3-Amino-4-[2,4-bis(trifluoromethyl)phenyl]butyric Acid, identified by CAS number 1391330-63-4, is an organic compound featuring an amino acid backbone substituted with a 2,4-bis(trifluoromethyl)phenyl group. Its molecular formula is C12H11F6NO2, with an exact mass of 315.069398 and a molecular weight of 315.21 g/mol. The presence of two trifluoromethyl groups on the phenyl ring significantly influences its electronic and lipophilic properties, which are often desirable in pharmaceutical research for enhancing metabolic stability and bioavailability. As a research-oriented/research-oriented molecule, it may serve as a valuable building block or lead compound in the synthesis of novel chemical entities for various biological investigations. Researchers may explore its potential in structure-activity relationship studies, as a chiral auxiliary, or as a component in peptidomimetics.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline powder

Physical State

Solid

Melting Point

165.0 °C

Boiling Point

420.0 °C

Density

1.5 g/cm³

Water Solubility

Slightly soluble

Flash Point

210.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle 3-Amino-4-[2,4-bis(trifluoromethyl)phenyl]butyric Acid with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Refer to the Safety Data Sheet (SDS) for comprehensive safety information before handling.

Related Products / Graph Discovery

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