N-Cyclohexylmaleimide - ≥98%(GC) , CAS No.1631-25-0

CAS: 1631-25-0 Cat. No.: N138336 Molecular Weight: 179.22 EC Number: 216-630-6

GRADE & PURITY ≥98%(GC)

Synonyms

EINECS 216-630-6 | Q26840843 | SCHEMBL28719 | 1H-Pyrrole-2,5-dione, 1-cyclohexyl- | FT-0601514 | NSC-139830 | AS-14827 | N-Cyclohexylmaleimide | A810448 | F10262 | MFCD00043904 | N-CYCLOHEXYL MALEIMIDE | 1-Cyclohexyl-1H-pyrrole-2,5-dione | 3BD6JKD4Q7 | UN

Storage

Room temperature

Shipped In

Normal

Overview

N-Cyclohexylmaleimide (CHMI, NCMI) is a cyclic imide. Diels-Alder reactions of 9-hydroxymethylanthracene with CHMI catalyzed by hydrophobic nanospace confined within the self-assembled Pd6 open cage bearing triimidazole walls have been reported.It undergoes Diels-Alder reactions with various aromatic hydrocarbons promoted by self-assembled coordination cage. This cage acts as nanometer-sized molecular flask and hence promotes this reaction.CHMI is reported to undergo radical polymerization readily under various polymerization conditions to afford poly(CHMI), having excellent thermal stability.

Specifications

Synonyms

EINECS 216-630-6 | Q26840843 | SCHEMBL28719 | 1H-Pyrrole-2, 5-dione, 1-cyclohexyl- | FT-0601514 | NSC-139830 | AS-14827 | N-Cyclohexylmaleimide | A810448 | F10262 | MFCD00043904 | N-CYCLOHEXYL MALEIMIDE | 1-Cyclohexyl-1H-pyrrole-2, 5-dione | 3BD6JKD4Q7 | UN

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504754781
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754781
• Canonical Smiles: C1CCC(CC1)N2C(=O)C=CC2=O
• IUPAC Name: 1-cyclohexylpyrrole-2,5-dione
• InChIKey: BQTPKSBXMONSJI-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h6-8H,1-5H2
• Isomeric SMILES: C1CCC(CC1)N2C(=O)C=CC2=O
• WGK Germany: 3
• Molecular Weight: 179.22
• Reaxy-Rn: 138436
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=138436&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Maleimides
• Alternative Parents: N-substituted carboxylic acid imides Pyrrolines Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Maleimide - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrroline - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as maleimides. These are compounds containing a 2,5-pyrroledione moiety.
• 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(Human)

CTSB Tchem Cathepsin B (3822 Activities)

Discover Target: CTSB

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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 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

• Solubility: Solubility in Methanol almost transparency
• Boil Point(°C): 132°C/17mmHg
• Melt Point(°C): 88 °C
• Molecular Weight: 179.220 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.095 Da
• Monoisotopic Mass: 179.095 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 246.000
• 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