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Methyl 4-[(ethoxycarbonylmethyl)amino]-3-nitrobenzoate - 98%, high purity , CAS No.1381944-43-9

COA

Grade & Purity:

≥98%

Cas Number: 1381944-43-9
Molecular Weight: 282.2
PubChem CID: 70699923

In stock

Item Number

M181372

Grouped product items
SKU	Size	Availability	Price	Qty
M181372-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,154.90

Discover Methyl 4-[(ethoxycarbonylmethyl)amino]-3-nitrobenzoate by Aladdin Scientific in 98% for only $1,154.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1381944-43-9 \| Methyl 4-[(ethoxycarbonylmethyl)amino]-3-nitrobenzoate \| Methyl 4-((2-ethoxy-2-oxoethyl)amino)-3-nitrobenzoate \| methyl 4-[(2-ethoxy-2-oxoethyl)amino]-3-nitrobenzoate \| Methyl 4-((2-ethoxy-2-oxoethyl)-amino)-3-nitrobenzoate \| Methyl4-((2-ethoxy-2-oxo
Specifications & Purity	≥98%
Storage Temp	Room temperature
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 Alpha amino acid esters

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	Alpha amino acid esters
Alternative Parents	Nitrobenzoic acids and derivatives Aminobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Secondary alkylarylamines Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alpha-amino acid ester - Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Methyl ester - C-nitro compound - Organic nitro compound - Carboxylic acid ester - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
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 4-[(2-ethoxy-2-oxoethyl)amino]-3-nitrobenzoate
INCHI	InChI=1S/C12H14N2O6/c1-3-20-11(15)7-13-9-5-4-8(12(16)19-2)6-10(9)14(17)18/h4-6,13H,3,7H2,1-2H3
InChIKey	LHVJHRILVDYQAX-UHFFFAOYSA-N
Smiles	CCOC(=O)CNC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]
Isomeric SMILES	CCOC(=O)CNC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]
Molecular Weight	282.2
Reaxy-Rn	30519320
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30519320&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	282.250 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	282.085 Da
Monoisotopic Mass	282.085 Da
Topological Polar Surface Area	110.000 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	367.000
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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