N-Cyclohexylformamide - ≥98%(GC) , CAS No.766-93-8

CAS: 766-93-8 Cat. No.: N159269 Molecular Weight: 127.19 Beilstein Registry Number: 12(2)11 EC Number: 634-763-1

GRADE & PURITY ≥98%(GC)

Synonyms

FT-0632914 | Cyclohexylformamide | Formamidocyclohexane | N-Cyclohexylformamide, 99% | AE-646/31212051 | DTXSID40227416 | DB03559 | N-CYCLOHEXYL FORMAMIDE | N-Cyclohexylformamid | UNII-X2CFE4SDT6 | AI3-16743 | D89406 | FORMAMIDE, N-CYCLOHEXYL- | CHEBI:179

Storage

Room temperature

Shipped In

Normal

Overview

N-Cyclohexylformamide binds to the complex of horse liver alcohol dehydrogenase with NADH and is similar to the Michaelis complex for aldehyde reduction catalyzed by the enzyme.It is formed during hydration of cyclohexyl isocyanide catalyzed by a novel enzyme isonitrile hydratase from Pseudomonas putida N19-2.
N-Cyclohexylformamide was used in the synthesis of 2-methylidene-1,3-selenazolidine derivatives.

Specifications

Synonyms

FT-0632914 | Cyclohexylformamide | Formamidocyclohexane | N-Cyclohexylformamide, 99% | AE-646/31212051 | DTXSID40227416 | DB03559 | N-CYCLOHEXYL FORMAMIDE | N-Cyclohexylformamid | UNII-X2CFE4SDT6 | AI3-16743 | D89406 | FORMAMIDE, N-CYCLOHEXYL- | CHEBI:179

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488181770
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181770
• Canonical Smiles: C1CCC(CC1)NC=O
• IUPAC Name: N-cyclohexylformamide
• InChIKey: SWGXDLRCJNEEGZ-UHFFFAOYSA-N
• INCHI: 1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)
• Isomeric SMILES: C1CCC(CC1)NC=O
• WGK Germany: 2
• RTECS: LQ1825000
• Molecular Weight: 127.19
• Beilstein: 12(2)11
• Reaxy-Rn: 2040181
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2040181&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 Secondary 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: Secondary carboxylic acid amides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Secondary 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 secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).
• External Descriptors: a small molecule

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(Human)

ADH1A Tclin Alcohol dehydrogenase alpha chain (33 Activities)

Discover Target: ADH1A

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

ADH7 Tchem Alcohol dehydrogenase class IV (23 Activities)

Discover Target: ADH7

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

ADH1B Tclin Alcohol dehydrogenase beta chain (24 Activities)

Discover Target: ADH1B

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

ADH1C Tclin Alcohol dehydrogenase gamma chain (23 Activities)

Discover Target: ADH1C

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

ADH4 Tbio Alcohol dehydrogenase class II (23 Activities)

Discover Target: ADH4

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Flash Point(°F): >235.4 °F
• Flash Point(°C): >113 °C
• Boil Point(°C): 151 °C/17 mmHg
• Melt Point(°C): 30 °C
• Molecular Weight: 127.180 g/mol
• XLogP3: 1.400
• 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: 29.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 86.900
• 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