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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:17602 - 4-aminophenol
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ChEBI Ontology
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ChEBI Name
4-aminophenol
ChEBI ID
CHEBI:17602
Definition
An amino phenol (one of the three possible isomers) which has the single amino substituent located
para
to the phenolic -OH group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:40037, CHEBI:20395, CHEBI:1856, CHEBI:12001
Supplier Information
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Formula
C6H7NO
Net Charge
0
Average Mass
109.12592
Monoisotopic Mass
109.05276
InChI
InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
InChIKey
PLIKAWJENQZMHA-UHFFFAOYSA-N
SMILES
Nc1ccc(O)cc1
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):
allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
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-aminophenol (
CHEBI:17602
)
has role
allergen (
CHEBI:50904
)
4-aminophenol (
CHEBI:17602
)
has role
metabolite (
CHEBI:25212
)
4-aminophenol (
CHEBI:17602
)
is a
aminophenol (
CHEBI:28829
)
Incoming
4-methylaminophenol (
CHEBI:55416
)
has functional parent
4-aminophenol (
CHEBI:17602
)
aminoparathion (
CHEBI:28055
)
has functional parent
4-aminophenol (
CHEBI:17602
)
paracetamol (
CHEBI:46195
)
has functional parent
4-aminophenol (
CHEBI:17602
)
IUPAC Name
4-aminophenol
Synonyms
Sources
4-Aminobenzenol
KEGG COMPOUND
4-Aminophenol
KEGG COMPOUND
4-AMINOPHENOL
PDBeChem
4-aminophenol
UniProt
4-Hydroxyaniline
KEGG COMPOUND
p-Aminophenol
KEGG COMPOUND
p
-hydroxyaniline
NIST Chemistry WebBook
Manual Xrefs
Databases
4-Aminophenol
Wikipedia
4NL
PDBeChem
c0090
UM-BBD
C02372
KEGG COMPOUND
CPD-259
MetaCyc
HMDB0001169
HMDB
View more database links
Registry Numbers
Types
Sources
123-30-8
CAS Registry Number
KEGG COMPOUND
123-30-8
CAS Registry Number
ChemIDplus
123-30-8
CAS Registry Number
NIST Chemistry WebBook
2926
Gmelin Registry Number
Gmelin
385836
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11304127
PubMed citation
Europe PMC
1395635
PubMed citation
Europe PMC
22770225
PubMed citation
Europe PMC
7179289
PubMed citation
Europe PMC
Last Modified
02 March 2021