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Methyl 2-(5-amino-2-methylphenyl)acetate - ≥97%, high purity , CAS No.850449-93-3

COA

Grade & Purity:

≥97%

Cas Number: 850449-93-3
Molecular Weight: 179.22
PubChem CID: 46741401

In stock

Item Number

M732795

Grouped product items
SKU	Size	Availability	Price
M732795-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$166.90
M732795-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$300.90
M732795-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$899.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Toluenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Not available
Direct Parent	Aminotoluenes
Alternative Parents	Aniline and substituted anilines Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aniline or substituted anilines - Aminotoluene - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
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	methyl 2-(5-amino-2-methylphenyl)acetate
INCHI	InChI=1S/C10H13NO2/c1-7-3-4-9(11)5-8(7)6-10(12)13-2/h3-5H,6,11H2,1-2H3
InChIKey	SYZKUNVMYMRJSV-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1)N)CC(=O)OC
Isomeric SMILES	CC1=C(C=C(C=C1)N)CC(=O)OC
PubChem CID	46741401
Molecular Weight	179.22

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	179.220 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	179.095 Da
Monoisotopic Mass	179.095 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	182.000
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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