Name: 2-Chloro-N-(cyclohexylcarbamoyl)acetamide - ≥95% , CAS No.16467-50-8
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Clase	Organic carbonic acids and derivatives
Subclass	Ureas
Intermediate Tree Nodes	Ureides
Direct Parent	N-acyl ureas
Alternative Parents	Dicarboximides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	N-acyl urea - Dicarboximide - Carboxylic acid derivative - Alkyl chloride - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aliphatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as n-acyl ureas. These are compounds containing an urea bearing a N-acyl 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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	218.680 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	218.082 Da
Monoisotopic Mass	218.082 Da
Topological Polar Surface Area	58.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	215.000
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

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	C1CCC(CC1)NC(=O)NC(=O)CCl
IUPAC Name	2-chloro-N-(cyclohexylcarbamoyl)acetamide
InChIKey	AJYLCYFEYRUYOG-UHFFFAOYSA-N
INCHI	1S/C9H15ClN2O2/c10-6-8(13)12-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,12,13,14)
Isómeros SMILES	C1CCC(CC1)NC(=O)NC(=O)CCl
Peso molecular	218.68
Reaxy-Rn	2729361
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2729361&ln=

2-Chloro-N-(cyclohexylcarbamoyl)acetamide - ≥95% , CAS No.16467-50-8

Specifications