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Small Molecules & Compound Libraries
3-Amino-3-(4-hydroxyphenyl)propanoic Acid - ≥95%, high purity , CAS No.6049-54-3

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3-Amino-3-(4-hydroxyphenyl)propanoic Acid - ≥95%, high purity , CAS No.6049-54-3

COA

Grade & Purity:

≥95%

Cas Number: 6049-54-3
Molecular Weight: 181.19
MDL number: MFCD00181810
PubChem CID: 440311
PubChem SID: 488189763

In stock

Item Number

D304114

Grouped product items
SKU	Size	Availability	Price
D304114-250mg	250mg	5	$28.90
D304114-1g	1g	3	$63.90
D304114-5g	5g	3	$182.90

Basic Description

Synonyms	3-amino-3-(4-hydroxyphenyl)propanoic acid \| 6049-54-3 \| beta-Tyrosine \| 3-amino-3-(4-hydroxyphenyl)propionic acid \| 3-Amino-3-(4-hydroxy-phenyl)-propionic acid \| MFCD00181810 \| 3-Amino-3-(4-hydroxyphenyl)propanoate \| 3-azanyl-3-(4-hydroxyphenyl)propanoic acid \| (S)-b-Ami
Specifications & Purity	≥95%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

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	Phenylpropanoic acids Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Beta amino acid or derivatives - 3-phenylpropanoic-acid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Amine - Primary amine - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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	beta-amino acid
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

Associated Targets(non-human)

Trypanosoma cruzi (99888 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488189763
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488189763
IUPAC Name	3-amino-3-(4-hydroxyphenyl)propanoic acid
INCHI	InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
InChIKey	JYPHNHPXFNEZBR-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C(CC(=O)O)N)O
Isomeric SMILES	C1=CC(=CC=C1C(CC(=O)O)N)O
Molecular Weight	181.19
Reaxy-Rn	2097074
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2097074&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
F2230366	Certificate of Analysis	Apr 03, 2025	D304114
F2230335	Certificate of Analysis	Apr 03, 2025	D304114
F2230267	Certificate of Analysis	Apr 03, 2025	D304114

Chemical and Physical Properties

Molecular Weight	181.190 g/mol
XLogP3	-1.800
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	181.074 Da
Monoisotopic Mass	181.074 Da
Topological Polar Surface Area	83.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	176.000
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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