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L-Phenylalanine allyl ester 4-toluenesulfonate salt - ≥95%, high purity , CAS No.88224-00-4

COA

Grade & Purity:

≥95%

Cas Number: 88224-00-4
Molecular Weight: 377.46
PubChem CID: 45072173

In stock

Item Number

L732300

Grouped product items
SKU	Size	Availability	Price	Qty
L732300-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,368.90

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	Alpha amino acid esters p-Methylbenzenesulfonates Tosyl compounds Amphetamines and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aralkylamines Fatty acid esters Sulfonyls Quaternary ammonium salts Organosulfonic acids Carboxylic acid esters Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives Monoalkylamines Organic cations
Molecular Framework	Not available
Substituents	Phenylalanine or derivatives - Alpha-amino acid ester - P-methylbenzenesulfonate - Amphetamine or derivatives - Tosyl compound - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aralkylamine - Fatty acid ester - Toluene - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Organic cation - 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-methylbenzenesulfonic acid;prop-2-enyl (2S)-2-amino-3-phenylpropanoate
INCHI	InChI=1S/C12H15NO2.C7H8O3S/c1-2-8-15-12(14)11(13)9-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-7,11H,1,8-9,13H2;2-5H,1H3,(H,8,9,10)/t11-;/m0./s1
InChIKey	PKXPRZFLCJFMHN-MERQFXBCSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)O.C=CCOC(=O)C(CC1=CC=CC=C1)N
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)O.C=CCOC(=O)[C@H](CC1=CC=CC=C1)N
PubChem CID	45072173
Molecular Weight	377.46

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	377.500 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	377.13 Da
Monoisotopic Mass	377.13 Da
Topological Polar Surface Area	115.000 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	416.000
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	2

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