Cyclohexanecarboxamide - ≥97% , CAS No.1122-56-1

CAS: 1122-56-1 Cat. No.: C131942 Formula: C₆H₁₁CONH₂ Molecular Weight: 127.18 EC Number: 214-351-4

GRADE & PURITY ≥97%

Synonyms

1-cyclohexanecarboxamide|CYCLOHEXANECARBOXAMIDE|cyclohexane-carboxamide|Cyclohexanamide|Cyclohexamethylene carbamide|Cyclohexaneformamide|Hexahydrobenzoic acid amide|CYCLOHEXANE CARBOXAMIDE|Cyclohexyl carboxyamide|WM2|Hexahydrobenzamide|Cyclohexylcarboxyamide|carbamoyl-cyclohexane|Cyclohexylcarboxamide

Storage

Room temperature

Shipped In

Normal

Overview

The enthalpy of dilution of cyclohexanecarboxamide in N,N-dimethylformamide was studied to evaluate the enthalpic interaction coefficient

Specifications

Synonyms

1-cyclohexanecarboxamide | CYCLOHEXANECARBOXAMIDE | cyclohexane-carboxamide | Cyclohexanamide | Cyclohexamethylene carbamide | Cyclohexaneformamide | Hexahydrobenzoic acid amide | CYCLOHEXANE CARBOXAMIDE | Cyclohexyl carboxyamide | WM2 | Hexahydrobenzamide | Cyclohexylcarboxyamide | carbamoyl-cyclohexane | Cyclohexylcarboxamide

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

488181964

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181964

Canonical Smiles

C1CCC(CC1)C(=O)N

IUPAC Name

cyclohexanecarboxamide

InChIKey

PNZXMIKHJXIPEK-UHFFFAOYSA-N

INCHI

1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)

Isomeric SMILES

C1CCC(CC1)C(=O)N

WGK Germany

3

RTECS

GU7875500

Molecular Weight

127.18

Reaxy-Rn

507595

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507595&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Primary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Primary carboxylic acid amides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Primary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.
• 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

Associated Targets(non-human)

Candida albicans (78123 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 127.180 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 127.1 Da
• Monoisotopic Mass: 127.1 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• 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 ≥97% 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 1122-56-1, the molecular formula is C7H13NO, and the molecular weight is 127.18 g/mol. InChIKey PNZXMIKHJXIPEK-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.