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Methyl 3-(ethylamino)-4-nitrobenzoate - 98%, high purity , CAS No.952183-54-9

COA

Grade & Purity:

≥98%

Cas Number: 952183-54-9
Molecular Weight: 224.2
PubChem CID: 24213829

In stock

Item Number

M188650

Grouped product items
SKU	Size	Availability	Price	Qty
M188650-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$65.90
M188650-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$224.90

Discover Methyl 3-(ethylamino)-4-nitrobenzoate by Aladdin Scientific in 98% for only $65.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	methyl 3-(ethylamino)-4-nitrobenzoate \| 952183-54-9 \| methyl 3-(ethylamino)-4-nitrobenzenecarboxylate \| MFCD09607946 \| SCHEMBL2019450 \| DTXSID90640015 \| CNB18354 \| methyl3-(ethylamino)-4-nitrobenzoate \| AKOS005072216 \| DB-0700 \| SB80388 \| SY317205 \| CS-0187481 \| FT-0754377 \| D97629
Specifications & Purity	≥98%
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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzoic acids and derivatives
Alternative Parents	Aminobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Phenylalkylamines Secondary alkylarylamines Methyl esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organooxygen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Secondary amine - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organic zwitterion - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
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 3-(ethylamino)-4-nitrobenzoate
INCHI	InChI=1S/C10H12N2O4/c1-3-11-8-6-7(10(13)16-2)4-5-9(8)12(14)15/h4-6,11H,3H2,1-2H3
InChIKey	MDUFKGRSLMVNCE-UHFFFAOYSA-N
Smiles	CCNC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]
Isomeric SMILES	CCNC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]
Molecular Weight	224.2
Reaxy-Rn	28922100
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28922100&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	224.210 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	224.08 Da
Monoisotopic Mass	224.08 Da
Topological Polar Surface Area	84.200 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	264.000
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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