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Ethyl 4-(cyclohexylamino)-3-nitrobenzoate - ≥98%, high purity , CAS No.87815-77-8

COA

Grade & Purity:

≥98%

Cas Number: 87815-77-8
Molecular Weight: 292.33
PubChem CID: 5298559

In stock

Item Number

E709600

Grouped product items
SKU	Size	Availability	Price	Qty
E709600-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$78.90

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 Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Secondary alkylarylamines Cyclohexylamines Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organooxygen compounds Organopnictogen compounds Organic oxides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Cyclohexylamine - Secondary aliphatic/aromatic amine - Organic nitro compound - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Carboxylic acid derivative - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	ethyl 4-(cyclohexylamino)-3-nitrobenzoate
INCHI	InChI=1S/C15H20N2O4/c1-2-21-15(18)11-8-9-13(14(10-11)17(19)20)16-12-6-4-3-5-7-12/h8-10,12,16H,2-7H2,1H3
InChIKey	PALYDABJRIWMKF-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC(=C(C=C1)NC2CCCCC2)[N+](=O)[O-]
Isomeric SMILES	CCOC(=O)C1=CC(=C(C=C1)NC2CCCCC2)[N+](=O)[O-]
Alternate CAS	87815-77-8
PubChem CID	5298559
Molecular Weight	292.33

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	292.330 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	292.142 Da
Monoisotopic Mass	292.142 Da
Topological Polar Surface Area	84.200 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	363.000
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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