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> Main
CHEBI:28124 - 4,4'-methylene-bis-(2-chloroaniline)
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ChEBI Ontology
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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
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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 (Br
o
nsted 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
Types
Sources
19447850
PubMed citation
Europe PMC
21501672
PubMed citation
Europe PMC
Last Modified
19 September 2013