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DL-Phenylalanine t-butyl ester hydrochloride - 97%, high purity , CAS No.75898-47-4

COA

Grade & Purity:

≥97%

Cas Number: 75898-47-4
Molecular Weight: 257.8
PubChem CID: 3084217
PubChem SID: 504762429

In stock

Item Number

D351599

Grouped product items
SKU	Size	Availability	Price
D351599-1g	1g	3	$29.90
D351599-5g	5g	3	$114.90
D351599-25g	25g	2	$465.90

Basic Description

Synonyms	A875120 \| tert-Butyl 3-phenyl-L-alaninate hydrochloride \| EN300-295902 \| EINECS 239-151-4 \| FT-0625605 \| A809106 \| tert-butyl 2-azanyl-3-phenyl-propanoate hydrochloride \| AKOS015961788 \| DS-5410 \| AM20040215 \| DL-Phenylalanine t-butyl ester hydrochloride,
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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 Amphetamines and derivatives Fatty acid esters Aralkylamines Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Hydrochloride - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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

Pubchem Sid	504762429
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762429
IUPAC Name	tert-butyl 2-amino-3-phenylpropanoate;hydrochloride
INCHI	InChI=1S/C13H19NO2.ClH/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10;/h4-8,11H,9,14H2,1-3H3;1H
InChIKey	FDMCEXDXULPJPG-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N.Cl
Isomeric SMILES	CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N.Cl
Molecular Weight	257.8
Reaxy-Rn	6318380
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6318380&ln=

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

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Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
J2219358	Certificate of Analysis	Aug 06, 2022	D351599
J2219393	Certificate of Analysis	Aug 06, 2022	D351599
J2219562	Certificate of Analysis	Aug 06, 2022	D351599

Chemical and Physical Properties

Molecular Weight	257.750 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	257.118 Da
Monoisotopic Mass	257.118 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	227.000
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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