CHEBI:167803 - 4-ethynylaniline

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-ethynylaniline
ChEBI ID CHEBI:167803
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H7N
Net Charge 0
Average Mass 117.151
Monoisotopic Mass 117.05785
InChI InChI=1S/C8H7N/c1-2-7-3-5-8(9)6-4-7/h1,3-6H,9H2
InChIKey JXYITCJMBRETQX-UHFFFAOYSA-N
SMILES NC1=CC=C(C#C)C=C1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-ethynylaniline (CHEBI:167803) is a substituted aniline (CHEBI:48975)
IUPAC Name
4-ethynylaniline
Manual Xref Database
2989097 ChemSpider
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