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4-(2，2，2-Trifluoroacetamido)butanoic acid - ≥95%, high purity , CAS No.50632-83-2

COA

Grade & Purity:

≥95%

Cas Number: 50632-83-2
Molecular Weight: 199.13
PubChem CID: 303592

In stock

Item Number

B697292

Grouped product items
SKU	Size	Availability	Price	Qty
B697292-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$73.90
B697292-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$183.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Gamma amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Gamma amino acids and derivatives
Alternative Parents	Halogenated fatty acids Straight chain fatty acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Gamma amino acid or derivatives - Halogenated fatty acid - Straight chain fatty acid - Fatty acyl - Fatty acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	4-[(2,2,2-trifluoroacetyl)amino]butanoic acid
INCHI	InChI=1S/C6H8F3NO3/c7-6(8,9)5(13)10-3-1-2-4(11)12/h1-3H2,(H,10,13)(H,11,12)
InChIKey	KTYYDHOWWCVUQJ-UHFFFAOYSA-N
Smiles	C(CC(=O)O)CNC(=O)C(F)(F)F
Isomeric SMILES	C(CC(=O)O)CNC(=O)C(F)(F)F
PubChem CID	303592
Molecular Weight	199.13

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	199.130 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	199.046 Da
Monoisotopic Mass	199.046 Da
Topological Polar Surface Area	66.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	202.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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