(Q72489028)

English

2-Methyl-3-butylpyrazine

chemical compound

2-Butyl-3-methylpyrazine

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Statements

instance of

type of chemical entity

0 references

0 references

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150.115698448 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₉H₁₄N₂

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canonical SMILES

CCCCC1=NC=CN=C1C

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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/C9H14N2/c1-3-4-5-9-8(2)10-6-7-11-9/h6-7H,3-5H2,1-2H3

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InChIKey

IRSIKJPEFMMRHD-UHFFFAOYSA-N

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1 reference

5 April 2021

https://commonchemistry.cas.org/detail?cas_rn=15987-00-5

InChIKey

IRSIKJPEFMMRHD-UHFFFAOYSA-N

PubChem CID

85228

1 reference

matched by identifier from

InChIKey

IRSIKJPEFMMRHD-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL293872

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IRSIKJPEFMMRHD-UHFFFAOYSA-N

1 reference

NMRShiftDB structure ID

20207447

1 reference

matched by identifier from

InChIKey

IRSIKJPEFMMRHD-UHFFFAOYSA-N

DSSTox substance ID

DTXSID0065987

1 reference

matched by identifier from

InChIKey

IRSIKJPEFMMRHD-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID2035146

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EC number

240-126-5

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ECHA Substance Infocard ID

100.036.462

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stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.036.462

retrieved

29 December 2019

title

2-butyl-3-methylpyrazine (English)

quotation

CAS no.: 15987-00-5 (English)

FL number

14.091

1 reference

quotation

CAS no.: 15987-00-5 (English)

23 January 2021

14.091

AICS Chemical ID (BEING DELETED)

14340

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UNII

SLG6RBP4ZT

1 reference

matched by identifier from

InChIKey

IRSIKJPEFMMRHD-UHFFFAOYSA-N

(Q72489028)

2-Methyl-3-butylpyrazine

Statements

Identifiers

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