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CHEBI:19389 - 2,6-diamino-4-nitrotoluene
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ChEBI Ontology
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ChEBI Name
2,6-diamino-4-nitrotoluene
ChEBI ID
CHEBI:19389
Definition
A member of the class of amino-nitrotoluenes that is 2,6-diaminotoluene bearing a nitro substituent at position 4.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C7H9N3O2
Net Charge
0
Average Mass
167.16530
Monoisotopic Mass
167.06948
InChI
InChI=1S/C7H9N3O2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,8-9H2,1H3
InChIKey
SPOWAUDUGZVURQ-UHFFFAOYSA-N
SMILES
Cc1c(N)cc(cc1N)[N+]([O-])=O
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):
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2,6-diamino-4-nitrotoluene (
CHEBI:19389
)
has role
xenobiotic metabolite (
CHEBI:76206
)
2,6-diamino-4-nitrotoluene (
CHEBI:19389
)
is a
amino-nitrotoluene (
CHEBI:22482
)
Synonym
Source
4-Nitro-2,6-toluenediamine
ChemIDplus
Manual Xref
Database
C16397
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
2724113
Reaxys Registry Number
Reaxys
59229-75-3
CAS Registry Number
ChemIDplus
Last Modified
12 June 2015