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3-(4-Acetylphenyl)-2-aminopropanoic acid hydrochloride - ≥95%, high purity , CAS No.1360436-95-8

COA

Grade & Purity:

≥95%

Cas Number: 1360436-95-8
Molecular Weight: 243.68
PubChem CID: 46738304

In stock

Item Number

A732737

Grouped product items
SKU	Size	Availability	Price
A732737-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$53.90
A732737-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$213.90
A732737-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$973.90

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Non-PEG linker (187) PROTAC linker (720)

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	Alkyl-phenylketones Phenylpropanoic acids Amphetamines and derivatives Alpha amino acids Acetophenones Benzoyl derivatives Aryl alkyl ketones Aralkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylalanine or derivatives - Alkyl-phenylketone - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Acetophenone - Phenylketone - Aryl ketone - Aryl alkyl ketone - Benzoyl - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Ketone - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Primary amine - Carbonyl group - Hydrochloride - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - 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	3-(4-acetylphenyl)-2-aminopropanoic acid;hydrochloride
INCHI	InChI=1S/C11H13NO3.ClH/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15;/h2-5,10H,6,12H2,1H3,(H,14,15);1H
InChIKey	TZRAOLAVYBTWGD-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC=C(C=C1)CC(C(=O)O)N.Cl
Isomeric SMILES	CC(=O)C1=CC=C(C=C1)CC(C(=O)O)N.Cl
Molecular Weight	243.68
Reaxy-Rn	6785511
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6785511&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	243.680 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	243.066 Da
Monoisotopic Mass	243.066 Da
Topological Polar Surface Area	80.400 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	244.000
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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