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3-Amino-4-[3,5-bis(trifluoromethyl)phenyl]butyric Acid

CAS 1391230-73-1Formula C12H11F6NO2MW 315.21PubChem 89907181

A trifluoromethylated amino acid derivative, 3-Amino-4-[3,5-bis(trifluoromethyl)phenyl]butyric Acid, is a research chemical with a C12H11F6NO2 formula and a molecular weight of 315.21. It is primarily used as a building block in organic synthesis, particularly for creating novel compounds in medicinal chemistry and drug discovery due to its "research-oriented" structural characteristics.

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

Chemical Identity

Molecular Formula

C12H11F6NO2

Molecular Weight

315.21 g/mol

Exact Mass

315.069398

PubChem CID

89907181

IUPAC Name

3-amino-4-[3,5-bis(trifluoromethyl)phenyl]butanoic acid

SMILES String

NC(CC(=O)O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

Names & Synonyms

3-Amino-4-[3,5-bis(trifluoromethyl)phenyl]butyricAcid3-Amino-4-(3,5-bis(trifluoromethyl)phenyl)butanoic acidGJIOUDGNHUFMOW-UHFFFAOYSA-NAC4117
External Identifiers
MFCD22521652SCHEMBL15392082AKOS037630379SY224981

Catalog Overview

3-Amino-4-[3,5-bis(trifluoromethyl)phenyl]butyric Acid, identified by CAS 1391230-73-1, is an organic compound featuring both an amino group and a carboxylic acid group on a four-carbon chain, with a phenyl ring substituted by two trifluoromethyl groups at positions 3 and 5. Its molecular formula is C12H11F6NO2 and its molecular weight is 315. 21. The presence of trifluoromethyl groups often imparts unique physicochemical properties, such as increased lipophilicity and metabolic stability, making this compound a valuable intermediate in the synthesis of complex molecules.

Use Context

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

3-Amino-4-[3,5-bis(trifluoromethyl)phenyl]butyric Acid, identified by CAS 1391230-73-1, is an organic compound featuring both an amino group and a carboxylic acid group on a four-carbon chain, with a phenyl ring substituted by two trifluoromethyl groups at positions 3 and 5. Its molecular formula is C12H11F6NO2 and its molecular weight is 315.21. The presence of trifluoromethyl groups often imparts unique physicochemical properties, such as increased lipophilicity and metabolic stability, making this compound a valuable intermediate in the synthesis of complex molecules. It is classified within the "druglike_bioactive_like" structural bucket, indicating its potential relevance in pharmaceutical research and development.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid

Physical State

Solid

Melting Point

165.0 °C

Boiling Point

400.0 °C

Density

1.5 g/cm³

Water Solubility

Slightly soluble

Flash Point

280.0 °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
  • For research use only. Handle 3-Amino-4-[3,5-bis(trifluoromethyl)phenyl]butyric Acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information before handling.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

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Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 292249GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.