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(Q82099685)
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English
2-Ethyl-5-methylpyridine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
121.089149352
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₁N
0 references
canonical SMILES
CCC1=NC=C(C=C1)C
0 references
found in taxon
Nicotiana tabacum
1 reference
stated in
Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves
Identifiers
InChI
InChI=1S/C8H11N/c1-3-8-5-4-7(2)6-9-8/h4-6H,3H2,1-2H3
0 references
InChIKey
COHDGTRFTKHYSJ-UHFFFAOYSA-N
0 references
CAS Registry Number
18113-81-0
1 reference
InChIKey
COHDGTRFTKHYSJ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=18113-81-0
PubChem CID
519519
0 references
ChEBI ID
179424
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
SureChEMBL ID
SCHEMBL469189
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
COHDGTRFTKHYSJ-UHFFFAOYSA-N
UniChem compound ID
24343129
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20334051
0 references
DSSTOX compound identifier
DTXCID30285141
0 references
Cannabis Database ID
005386
1 reference
stated in
Cannabis Database
Human Metabolome Database ID
HMDB0040041
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
COHDGTRFTKHYSJ-UHFFFAOYSA-N
KNApSAcK ID
C00060480
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
COHDGTRFTKHYSJ-UHFFFAOYSA-N
UNII
2WWW2MR72E
1 reference
matched by identifier from
InChIKey
InChIKey
COHDGTRFTKHYSJ-UHFFFAOYSA-N
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