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(R)-3-Amino-4-(4-chlorophenyl)butanoic acid - ≥97%, high purity , CAS No.678969-21-6

COA

Grade & Purity:

≥97%

Cas Number: 678969-21-6
Molecular Weight: 213.66
PubChem CID: 5706683

In stock

Item Number

A709783

Grouped product items
SKU	Size	Availability	Price	Qty
A709783-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$335.90

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 Beta 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	Beta amino acids and derivatives
Alternative Parents	Amphetamines and derivatives Chlorobenzenes Aralkylamines Amino fatty acids Aryl chlorides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Beta amino acid or derivatives - Amphetamine or derivatives - Amino fatty acid - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organochloride - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta 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	(3R)-3-amino-4-(4-chlorophenyl)butanoic acid
INCHI	InChI=1S/C10H12ClNO2/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m1/s1
InChIKey	LCYHDQUYYVDIPY-SECBINFHSA-N
Smiles	C1=CC(=CC=C1CC(CC(=O)O)N)Cl
Isomeric SMILES	C1=CC(=CC=C1C[C@H](CC(=O)O)N)Cl
PubChem CID	5706683
Molecular Weight	213.66

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	213.660 g/mol
XLogP3	-0.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	213.056 Da
Monoisotopic Mass	213.056 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	191.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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