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4-(2-Amino-2-carboxyethyl)benzoic acid - ≥95%, high purity , CAS No.22976-70-1

COA

Grade & Purity:

≥95%

Cas Number: 22976-70-1
Molecular Weight: 209.2
PubChem CID: 265273

In stock

Item Number

B691627

Grouped product items
SKU	Size	Availability	Price
B691627-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$433.90
B691627-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$876.90
B691627-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,168.90

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 Alpha amino acids and derivatives
        Level7 Phenylalanine 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 - Alpha amino acids and derivatives
Direct Parent	Phenylalanine and derivatives
Alternative Parents	Phenylpropanoic acids Amphetamines and derivatives Alpha amino acids Benzoic acids Benzoyl derivatives Aralkylamines Dicarboxylic acids and derivatives Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylalanine or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Alpha-amino acid - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Aralkylamine - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Amino acid - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
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-amino-2-carboxyethyl)benzoic acid
INCHI	InChI=1S/C10H11NO4/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H,12,13)(H,14,15)
InChIKey	YXDGRBPZVQPESQ-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1CC(C(=O)O)N)C(=O)O
Isomeric SMILES	C1=CC(=CC=C1CC(C(=O)O)N)C(=O)O
Alternate CAS	22976-70-1,24213-90-9
NSC Number	101133
Molecular Weight	209.2
Reaxy-Rn	1879728
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1879728&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	209.200 g/mol
XLogP3	-1.600
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	209.069 Da
Monoisotopic Mass	209.069 Da
Topological Polar Surface Area	101.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	246.000
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	1

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