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L-Aspartic acid β-methyl ester hydrochloride - 97%, high purity , CAS No.16856-13-6

COA

Grade & Purity:

≥97%

Cas Number: 16856-13-6
Molecular Weight: 183.59
Beilstein Registry Number: 4(4)3001
EC Number: 240-880-5
MDL number: MFCD00038972
PubChem CID: 12832742

In stock

Item Number

L591069

Grouped product items
SKU	Size	Availability	Price
L591069-5g	5g	2	$10.90
L591069-25g	25g	2	$28.90
L591069-100g	100g	2	$77.90
L591069-500g	500g	1	$268.90

Basic Description

Synonyms	16856-13-6 \| H-Asp(OMe)-OH.HCl \| (S)-2-Amino-4-methoxy-4-oxobutanoic acid hydrochloride \| L-Aspartic acid beta-methyl ester hydrochloride \| L-Aspartic Acid 4-Methyl Ester Hydrochloride \| L-Aspartic acid beta-methyl ester, HCl \| (2S)-2-amino-4-methoxy-4-oxobutanoic ac
Specifications & Purity	≥97%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads 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 Aspartic acid 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	Aspartic acid and derivatives
Alternative Parents	L-alpha-amino acids Fatty acid methyl esters Dicarboxylic acids and derivatives Quaternary ammonium salts Methyl esters Amino acids Carboxylic acids Organic zwitterions Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Aspartic acid or derivatives - Alpha-amino acid - L-alpha-amino acid - Fatty acid ester - Fatty acid methyl ester - Dicarboxylic acid or derivatives - Fatty acyl - Quaternary ammonium salt - Methyl ester - Amino acid - Carboxylic acid ester - Carboxylic acid - Organic oxide - Organic nitrogen compound - Organic chloride salt - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic zwitterion - Organic salt - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid 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)-2-amino-4-methoxy-4-oxobutanoic acid;hydrochloride
INCHI	InChI=1S/C5H9NO4.ClH/c1-10-4(7)2-3(6)5(8)9;/h3H,2,6H2,1H3,(H,8,9);1H/t3-;/m0./s1
InChIKey	QRBMPUYOGOCYDJ-DFWYDOINSA-N
Smiles	COC(=O)CC(C(=O)O)N.Cl
Isomeric SMILES	COC(=O)C[C@@H](C(=O)O)N.Cl
WGK Germany	3
Molecular Weight	183.59
Beilstein	4(4)3001
Reaxy-Rn	4715992
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4715992&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
F2315481	Certificate of Analysis	Jun 28, 2023	L591069
F2315480	Certificate of Analysis	Jun 28, 2023	L591069
F2315476	Certificate of Analysis	Jun 28, 2023	L591069
F2315473	Certificate of Analysis	Jun 28, 2023	L591069

Chemical and Physical Properties

Sensitivity	Sensitivity to heat
Specific Rotation[α]	11 ° (C=1, H2O)
Melt Point(°C)	191-193°C
Molecular Weight	183.590 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	183.03 Da
Monoisotopic Mass	183.03 Da
Topological Polar Surface Area	89.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	145.000
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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