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(Q105291005)
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English
1H-pyrrole, 1-ethyl-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pyrrole alkaloid
0 references
mass
95.073499288
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₆H₉N
0 references
canonical SMILES
C=1C=CN(C1)CC
0 references
found in taxon
Coffea arabica
1 reference
stated in
New volatile components of roasted coffee
Identifiers
InChI
InChI=1S/C6H9N/c1-2-7-5-3-4-6-7/h3-6H,2H2,1H3
0 references
InChIKey
VPUAYOJTHRDUTK-UHFFFAOYSA-N
0 references
CAS Registry Number
617-92-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
185226
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VPUAYOJTHRDUTK-UHFFFAOYSA-N
UniChem compound ID
1567672
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80870703
1 reference
matched by identifier from
InChIKey
InChIKey
VPUAYOJTHRDUTK-UHFFFAOYSA-N
UNII
JCK8RWU2W2
1 reference
matched by identifier from
InChIKey
InChIKey
VPUAYOJTHRDUTK-UHFFFAOYSA-N
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