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2-Amino-2-(3-(trifluoromethyl)phenyl)acetic acid hydrochloride - ≥95%, high purity , CAS No.1134915-25-5

COA

Grade & Purity:

≥95%

Cas Number: 1134915-25-5
Molecular Weight: 255.62
PubChem CID: 24730353

In stock

Item Number

A731390

Grouped product items
SKU	Size	Availability	Price	Qty
A731390-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$82.90
A731390-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$248.90

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Class A GPCR (4138)

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 Alpha amino acids and derivatives
        Level7 Alpha amino acids

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 - Alpha amino acids and derivatives
Direct Parent	Alpha amino acids
Alternative Parents	Trifluoromethylbenzenes Aralkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alpha-amino acid - Trifluoromethylbenzene - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
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	2-amino-2-[3-(trifluoromethyl)phenyl]acetic acid;hydrochloride
INCHI	InChI=1S/C9H8F3NO2.ClH/c10-9(11,12)6-3-1-2-5(4-6)7(13)8(14)15;/h1-4,7H,13H2,(H,14,15);1H
InChIKey	SECHOAVQAILTSH-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)C(F)(F)F)C(C(=O)O)N.Cl
Isomeric SMILES	C1=CC(=CC(=C1)C(F)(F)F)C(C(=O)O)N.Cl
PubChem CID	24730353
Molecular Weight	255.62

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	255.620 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	255.027 Da
Monoisotopic Mass	255.027 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	242.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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