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

CAS: 16467-50-8 Cat. No.: C191376 Formula: C₉H₁₅ClN₂O₂ Molecular Weight: 218.68 EC Number: 981-504-6

GRADE & PURITY ≥95%

Synonyms

MFCD03976170 | Acetamide, 2-chloro-N-[(cyclohexylamino)carbonyl]- | 1-(2-Chloro-acetyl)-3-cyclohexyl-urea | 2-chloro-N-(cyclohexylcarbamoyl)acetamide | SR-01000041888 | Z56904663 | AKOS008966917 | DTXSID70368604 | SCHEMBL10824411 | DS-2459 | 3-(2-chloroac

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD03976170 | Acetamide, 2-chloro-N-[(cyclohexylamino)carbonyl]- | 1-(2-Chloro-acetyl)-3-cyclohexyl-urea | 2-chloro-N-(cyclohexylcarbamoyl)acetamide | SR-01000041888 | Z56904663 | AKOS008966917 | DTXSID70368604 | SCHEMBL10824411 | DS-2459 | 3-(2-chloroac

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: C1CCC(CC1)NC(=O)NC(=O)CCl
• Molecular Weight: 218.68
• Reaxy-Rn: 2729361
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2729361&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives
      • Subclass Ureas
        • Level5 Ureides
          • Level6 N-acyl ureas

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Data sources

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

Chemical and Physical Properties

• Molecular Weight: 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 Ų
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 16467-50-8, the molecular formula is C9H15ClN2O2, and the molecular weight is 218.68 g/mol. InChIKey AJYLCYFEYRUYOG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.