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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:17296 - aniline
Main
ChEBI Ontology
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ChEBI Name
aniline
ChEBI ID
CHEBI:17296
Definition
A primary arylamine in which an amino functional group is substituted for one of the benzene hydrogens.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:40796, CHEBI:2732, CHEBI:13834, CHEBI:22561
Supplier Information
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Wikipedia
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Read full article at Wikipedia
Formula
C6H7N
Net Charge
0
Average Mass
93.12650
Monoisotopic Mass
93.05785
InChI
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
InChIKey
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
SMILES
Nc1ccccc1
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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
aniline (
CHEBI:17296
)
is a
anilines (
CHEBI:22562
)
aniline (
CHEBI:17296
)
is a
primary arylamine (
CHEBI:50471
)
Incoming
(2
S
,3
S
,4
R
,5
R
)-2-(4-aminophenyl)-5-hydroxymethylpyrrolidine-3,4-diol (
CHEBI:45008
)
has functional parent
aniline (
CHEBI:17296
)
N
-methylaniline (
CHEBI:15733
)
has functional parent
aniline (
CHEBI:17296
)
anilide (
CHEBI:13248
)
has functional parent
aniline (
CHEBI:17296
)
anilinyl (
CHEBI:48372
)
has functional parent
aniline (
CHEBI:17296
)
benzenamine sulfate (
CHEBI:61691
)
has functional parent
aniline (
CHEBI:17296
)
diethofencarb (
CHEBI:4520
)
has functional parent
aniline (
CHEBI:17296
)
PAP (
CHEBI:53758
)
has functional parent
aniline (
CHEBI:17296
)
pencycuron (
CHEBI:7957
)
has functional parent
aniline (
CHEBI:17296
)
vorinostat (
CHEBI:45716
)
has functional parent
aniline (
CHEBI:17296
)
anilino group (
CHEBI:48285
)
is substituent group from
aniline (
CHEBI:17296
)
IUPAC Name
aniline
Synonyms
Sources
aminobenzene
ChemIDplus
aminophen
ChemIDplus
Anilin
NIST Chemistry WebBook
Aniline
KEGG COMPOUND
ANILINE
PDBeChem
aniline
UniProt
Benzenamine
KEGG COMPOUND
benzeneamine
NIST Chemistry WebBook
kyanol
NIST Chemistry WebBook
Phenylamine
KEGG COMPOUND
Manual Xrefs
Databases
Aniline
Wikipedia
ANILINE
MetaCyc
ANL
PDBeChem
C00292
KEGG COMPOUND
DB06728
DrugBank
HMDB0003012
HMDB
View more database links
Registry Numbers
Types
Sources
2796
Gmelin Registry Number
Gmelin
605631
Beilstein Registry Number
Beilstein
605631
Reaxys Registry Number
Reaxys
62-53-3
CAS Registry Number
ChemIDplus
62-53-3
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
11304127
PubMed citation
Europe PMC
17135213
PubMed citation
Europe PMC
23821252
PubMed citation
Europe PMC
3779628
PubMed citation
Europe PMC
6205897
PubMed citation
Europe PMC
Last Modified
23 October 2015
General Comment
2014-02-06
Found in the urine samples of humans exposed to industrial aromatic amines.