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2-Ethyl-5-methylpyrazine

CAT: 0931-TYD-02651-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-02651-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13360-64-0
Target
Others
Related Pathways
Others
Purity
0.9989
Bioactivity
2-Ethyl-5-methylpyrazine is a pyrazine compound suitable for biochemical experiments and drug synthesis research.
Smiles
N=1C=C(N=CC1C)CC
Molecular Formula
C7H10N2
Molecular Weight
122.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Ethyl-5-methylpyrazine

2-ethyl-5-methylpyrazine is a member of the class of pyrazines that is pyrazine with an ethyl group at position 2 and a methyl group at position 5 or vice versa. Found in tea, soybean paste, chocolate and sesame seed oil. It has a role as a flavouring agent and a Maillard reaction product. It is a volatile organic compound and a member of pyrazines.

CAS Number13360-64-0
PubChem CID25915
IUPAC Name2-ethyl-5-methylpyrazine
Molecular FormulaC7H10N2
Molecular Weight122.17
XLogP1
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity83
SMILES
CCC1=NC=C(N=C1)C
InChI
InChI=1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3
InChIKey
OXCKCFJIKRGXMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethyl-5-methylpyrazine
CAS: 13360-64-0
CID: 25915
Formula: C7H10N2
MW: 122.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.17
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass122.084398327
Monoisotopic Mass122.084398327
Topological Polar Surface Area25.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity83
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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