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Ethyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate - 98%, high purity , CAS No.53786-45-1

COA

Grade & Purity:

≥98%

Cas Number: 53786-45-1
Molecular Weight: 297.78
PubChem CID: 104609

In stock

Item Number

E193813

Grouped product items
SKU	Size	Availability	Price	Qty
E193813-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$175.90
E193813-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$521.90

Basic Description

Synonyms	53786-45-1 \| Ethyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate \| ethyl 4-(2-amino-4-chloroanilino)piperidine-1-carboxylate \| ethyl 4-[(2-amino-4-chlorophenyl)amino]piperidine-1-carboxylate \| DTXSID9057765 \| EINECS 258-775-8 \| UK7KX7K5VT \| CHEMBL3182812 \| DT
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Piperidinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Piperidinecarboxylic acids
Alternative Parents	Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Chlorobenzenes Aminopiperidines Aryl chlorides Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Piperidinecarboxylic acid - Aniline or substituted anilines - Phenylalkylamine - 4-aminopiperidine - Secondary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Azacycle - Secondary amine - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid 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

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-(2-amino-4-chloroanilino)piperidine-1-carboxylate
INCHI	InChI=1S/C14H20ClN3O2/c1-2-20-14(19)18-7-5-11(6-8-18)17-13-4-3-10(15)9-12(13)16/h3-4,9,11,17H,2,5-8,16H2,1H3
InChIKey	PPCPQDDCMQRJLS-UHFFFAOYSA-N
Smiles	CCOC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)Cl)N
Isomeric SMILES	CCOC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)Cl)N
Molecular Weight	297.78
Reaxy-Rn	425492
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=425492&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	297.780 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	297.124 Da
Monoisotopic Mass	297.124 Da
Topological Polar Surface Area	67.600 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	322.000
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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