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1,3-dimethyl 2-aminobenzene-1,3-dicarboxylate - 97%, high purity , CAS No.57053-02-8

COA

Grade & Purity:

≥97%

Cas Number: 57053-02-8
Molecular Weight: 209.1986
PubChem CID: 12217545
PubChem SID: 488197957

In stock

Item Number

D176821

Grouped product items
SKU	Size	Availability	Price
D176821-250mg	250mg	5	$10.90
D176821-1g	1g	4	$29.90
D176821-5g	5g	3	$117.90
D176821-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$317.90

Discover 1,3-dimethyl 2-aminobenzene-1,3-dicarboxylate by Aladdin Scientific in 97% for only $10.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	dimethyl 2-aminoisophthalate \| 57053-02-8 \| 1,3-dimethyl 2-aminobenzene-1,3-dicarboxylate \| dimethyl 2-aminobenzene-1,3-dicarboxylate \| MFCD18431747 \| 1,3-Benzenedicarboxylic acid, 2-amino-, dimethyl ester \| dimethyl2-aminoisophthalate \| SCHEMBL2895994 \| DTXSID90480933 \| Q
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Phthalic acid and derivatives
        Level6 Phthalate esters
        Level7 m-Phthalate esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Phthalic acid and derivatives - Phthalate esters
Direct Parent	m-Phthalate esters
Alternative Parents	M-phthalic acid and derivatives Benzoic acid esters Aminobenzoic acids and derivatives Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Methyl esters Amino acids and derivatives Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Meta-phthalic acid ester - Meta_phthalic_acid - Aminobenzoic acid or derivatives - Benzoate ester - Benzoyl - Aniline or substituted anilines - Vinylogous amide - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.
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	488197957
IUPAC Name	dimethyl 2-aminobenzene-1,3-dicarboxylate
INCHI	InChI=1S/C10H11NO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,11H2,1-2H3
InChIKey	QVBQPOJYBWWILD-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C(=CC=C1)C(=O)OC)N
Isomeric SMILES	COC(=O)C1=C(C(=CC=C1)C(=O)OC)N
Molecular Weight	209.1986
Reaxy-Rn	2842798
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2842798&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
K2122073	Certificate of Analysis	Sep 11, 2024	D176821
K2122075	Certificate of Analysis	Sep 11, 2024	D176821
K2122076	Certificate of Analysis	Sep 11, 2024	D176821
K2122077	Certificate of Analysis	Sep 11, 2024	D176821

Chemical and Physical Properties

Molecular Weight	209.200 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	209.069 Da
Monoisotopic Mass	209.069 Da
Topological Polar Surface Area	78.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	230.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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