Skip to the beginning of the images gallery

L-Asparagine tert-butyl ester hydrochloride - ≥98.0% (TLC), high purity , CAS No.63094-81-5

COA

Cas Number: 63094-81-5
Molecular Weight: 224.69
MDL number: MFCD00039079
PubChem CID: 16218498

In stock

Item Number

L465256

Grouped product items
SKU	Size	Availability	Price	Qty
L465256-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$175.90

Basic Description

Synonyms	AM81565 \| HY-W142123 \| AKOS016001504 \| l-asparagine-t-butyl ester hydrochloride \| MFCD00039079 \| RXNKCUXXNGWROA-JEDNCBNOSA-N \| L-Asparagine t-butyl ester hydrochloride (H-L-Asn-OtBu.HCl) \| L-Asparagine tert-butyl ester hydrochloride, >=98.0% (TLC) \| L-Asp
Specifications & Purity	≥98%(TLC)
Product Description	Description L-Asparaginetert-butyl ester hydrochloride may be used as a starting material in the multi-step synthesis of L-aspartyl-L-asparagine.

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 Asparagine 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	Asparagine and derivatives
Alternative Parents	Alpha amino acid esters Fatty acid esters Fatty amides Primary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Asparagine or derivatives - Alpha-amino acid ester - Fatty acid ester - Fatty amide - Fatty acyl - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrochloride - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine 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	tert-butyl (2S)-2,4-diamino-4-oxobutanoate;hydrochloride
INCHI	InChI=1S/C8H16N2O3.ClH/c1-8(2,3)13-7(12)5(9)4-6(10)11;/h5H,4,9H2,1-3H3,(H2,10,11);1H/t5-;/m0./s1
InChIKey	RXNKCUXXNGWROA-JEDNCBNOSA-N
Smiles	CC(C)(C)OC(=O)C(CC(=O)N)N.Cl
Isomeric SMILES	CC(C)(C)OC(=O)[C@H](CC(=O)N)N.Cl
PubChem CID	16218498
Molecular Weight	224.69

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	224.680 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	224.093 Da
Monoisotopic Mass	224.093 Da
Topological Polar Surface Area	95.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	208.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration