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CHEBI:53090 - 1,3-dicyclohexylcarbodiimide

Default Structure
ChEBI IDCHEBI:53090
ChEBI Name1,3-dicyclohexylcarbodiimide
Stars
DefinitionA carbodiimide compound having a cyclohexyl substituent on both nitrogen atoms.
Last Modified16 May 2013
SubmitterSteve
DownloadsMolfile
FormulaC13H22N2
Net Charge0
Average Mass206.333
Monoisotopic Mass206.17830
SMILESC(=NC1CCCCC1)=NC1CCCCC1
InChIInChI=1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2
InChIKeyQOSSAOTZNIDXMA-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
ATP synthase inhibitor  A mitochondrial respiratory-chain inhibitor that interferes with the action of ATP synthase.
Applications:
peptide coupling reagent  A reagent used to couple amino acids during artificial peptide synthesis.
cross-linking reagent  A reagent with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between macromolecules, principally side chains of amino acids in proteins, allowing the locations of naturally reactive areas within the proteins to be identified.
ChEBI Ontology
Outgoing Relation(s)
1,3-dicyclohexylcarbodiimide (CHEBI:53090) has role ATP synthase inhibitor (CHEBI:20854)
1,3-dicyclohexylcarbodiimide (CHEBI:53090) has role cross-linking reagent (CHEBI:50684)
1,3-dicyclohexylcarbodiimide (CHEBI:53090) has role peptide coupling reagent (CHEBI:73668)
1,3-dicyclohexylcarbodiimide (CHEBI:53090) is a carbodiimide (CHEBI:53091)
IUPAC Name 
dicyclohexylmethanediimine
Synonyms  Source
1,3-DicyclohexylcarbodiimideChemIDplus
Bis(cyclohexyl)carbodiimideChemIDplus
CarbodicyclohexylimideNIST Chemistry WebBook
DCCChemIDplus
DCCDChemIDplus
DCCIChemIDplus
Manual XrefsDatabases
N,N'-DicyclohexylcarbodiimideWikipedia
Registry NumbersSources
Gmelin:51651Gmelin
Reaxys:610662Reaxys
CAS:538-75-0ChemIDplus
CAS:538-75-0NIST Chemistry WebBook
Citations