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English
2-Methyl-3-propylpyrazine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pyrazine alkaloid
0 references
piperazine alkaloid
0 references
mass
136.100048384
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₂N₂
0 references
canonical SMILES
CCCC1=NC=CN=C1C
0 references
found in taxon
Perilla frutescens
1 reference
stated in
Headspace-solid phase microextraction-gas chromatography-tandem mass spectrometry (HS-SPME-GC-MS2) method for the determination of pyrazines in perilla seed oils: impact of roasting on the pyrazines in perilla seed oils
Identifiers
InChI
InChI=1S/C8H12N2/c1-3-4-8-7(2)9-5-6-10-8/h5-6H,3-4H2,1-2H3
0 references
InChIKey
XAWKNALRUSOTOY-UHFFFAOYSA-N
0 references
CAS Registry Number
15986-80-8
1 reference
InChIKey
XAWKNALRUSOTOY-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=15986-80-8
PubChem CID
85224
1 reference
matched by identifier from
InChIKey
InChIKey
XAWKNALRUSOTOY-UHFFFAOYSA-N
ChEBI ID
193646
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H12N2/c1-3-4-8-7(2)9-5-6-10-8/h5-6H,3-4H2,1-2H3
SureChEMBL ID
SCHEMBL294405
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XAWKNALRUSOTOY-UHFFFAOYSA-N
UniChem compound ID
50350
1 reference
stated in
UniChem
NMRShiftDB structure ID
20207489
1 reference
matched by identifier from
InChIKey
InChIKey
XAWKNALRUSOTOY-UHFFFAOYSA-N
DSSTox substance ID
DTXSID8051758
1 reference
matched by identifier from
InChIKey
InChIKey
XAWKNALRUSOTOY-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID1030313
0 references
FL number
14.129
1 reference
stated in
EFSA database
FL number
14.129
quotation
CAS no.: 15986-80-8
(English)
retrieved
23 January 2021
Human Metabolome Database ID
HMDB0041252
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XAWKNALRUSOTOY-UHFFFAOYSA-N
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