CHEBI:28124 - 4,4'-methylene-bis-(2-chloroaniline)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4,4'-methylene-bis-(2-chloroaniline)
ChEBI ID CHEBI:28124
Definition A chloroaniline that consists of two 2-chloroaniline units joined by a methylene bridge.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1741, CHEBI:20264
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C13H12Cl2N2
Net Charge 0
Average Mass 267.15400
Monoisotopic Mass 266.03775
InChI InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2
InChIKey IBOFVQJTBBUKMU-UHFFFAOYSA-N
SMILES Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4,4'-methylene-bis-(2-chloroaniline) (CHEBI:28124) has role metabolite (CHEBI:25212)
4,4'-methylene-bis-(2-chloroaniline) (CHEBI:28124) is a chloroaniline (CHEBI:23130)
IUPAC Name
4,4'-methanediylbis(2-chloroaniline)
Synonyms Sources
Methylenebis(chloroaniline) KEGG COMPOUND
MOCA KEGG COMPOUND
Manual Xrefs Databases
4,4'-Methylenebis(2-chloroaniline) Wikipedia
C10999 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
101-14-4 CAS Registry Number KEGG COMPOUND
101-14-4 CAS Registry Number ChemIDplus
1882318 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19447850 PubMed citation Europe PMC
21501672 PubMed citation Europe PMC
Last Modified
19 September 2013