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Methyl 2-amino-4-phenylbutanoate hydrochloride - ≥97%, high purity , CAS No.85808-33-9

COA

Grade & Purity:

≥97%

Cas Number: 85808-33-9
PubChem CID: 13050176

In stock

Item Number

M727271

Grouped product items
SKU	Size	Availability	Price
M727271-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$35.90
M727271-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$91.90
M727271-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$184.90
M727271-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$475.90
M727271-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,508.90

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 Alpha amino acid esters

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 acid esters
Alternative Parents	Fatty acid esters Aralkylamines Benzene and substituted derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alpha-amino acid ester - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Hydrochloride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
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	methyl 2-amino-4-phenylbutanoate;hydrochloride
INCHI	InChI=1S/C11H15NO2.ClH/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3;1H
InChIKey	PZKOPSSMUBBHMM-UHFFFAOYSA-N
Smiles	COC(=O)C(CCC1=CC=CC=C1)N.Cl
Isomeric SMILES	COC(=O)C(CCC1=CC=CC=C1)N.Cl
Alternate CAS	85808-33-9
PubChem CID	13050176

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	229.700 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	229.087 Da
Monoisotopic Mass	229.087 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	15
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	2

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