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13360-64-0 molecular structure
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2-ethyl-5-methylpyrazine

ChemBase ID: 294271
Molecular Formular: C7H10N2
Molecular Mass: 122.1677
Monoisotopic Mass: 122.08439833
SMILES and InChIs

SMILES:
CCc1cnc(C)cn1
Canonical SMILES:
CCc1cnc(cn1)C
InChI:
InChI=1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3
InChIKey:
OXCKCFJIKRGXMM-UHFFFAOYSA-N

Cite this record

CBID:294271 http://www.chembase.cn/molecule-294271.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethyl-5-methylpyrazine
IUPAC Traditional name
pyrazine, 2-ethyl-5-methyl-
Synonyms
2-Ethyl-5-methylpyrazine
CAS Number
13360-64-0
MDL Number
MFCD09039261
PubChem SID
180679802
PubChem CID
25915

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD74608 Please log in.
Data Source Data ID
PubChem 25915 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5011371  LogD (pH = 7.4) 0.50117666 
Log P 0.50117713  Molar Refractivity 35.5541 cm3
Polarizability 13.90454 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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