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N(alpha)-Ethoxycarbonyl-L-asparagine - 97%, high purity , CAS No.16639-91-1

COA

Grade & Purity:

≥97%

Cas Number: 16639-91-1
Molecular Weight: 204.18
MDL number: MFCD00082761
PubChem CID: 7021476

In stock

Item Number

N299983

Grouped product items
SKU	Size	Availability	Price
N299983-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
N299983-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
N299983-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$337.90

Basic Description

Synonyms	16639-91-1 \| (S)-4-Amino-2-((ethoxycarbonyl)amino)-4-oxobutanoic acid \| L-Asparagine, N2-(ethoxycarbonyl)- \| N(ALPHA)-ETHOXYCARBONYL-L-ASPARAGINE \| (2S)-4-amino-2-(ethoxycarbonylamino)-4-oxobutanoic acid \| EOC-L-ASPARAGINE \| N~2~-(Ethoxycarbonyl)-L-asparagine \| (Ethoxy
Specifications & Purity	≥97%
Shipped In	Normal

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	Fatty amides Fatty acids and conjugates Carbamate esters Primary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Asparagine or derivatives - Fatty amide - Fatty acid - Fatty acyl - Carbamic acid ester - Carboxamide group - Primary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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	(2S)-4-amino-2-(ethoxycarbonylamino)-4-oxobutanoic acid
INCHI	InChI=1S/C7H12N2O5/c1-2-14-7(13)9-4(6(11)12)3-5(8)10/h4H,2-3H2,1H3,(H2,8,10)(H,9,13)(H,11,12)/t4-/m0/s1
InChIKey	YORYXPTWPIKBDE-BYPYZUCNSA-N
Smiles	CCOC(=O)NC(CC(=O)N)C(=O)O
Isomeric SMILES	CCOC(=O)N[C@@H](CC(=O)N)C(=O)O
Molecular Weight	204.18
Reaxy-Rn	1712104
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1712104&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	204.180 g/mol
XLogP3	-1.200
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	204.075 Da
Monoisotopic Mass	204.075 Da
Topological Polar Surface Area	119.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	240.000
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	1

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