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2,3,5-Trimethylpyrazine

CAT: 0013-GTR19239374-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19239374-01Size:1 ml x 10 mM (in DMSO)
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Description
2,3,5-Trimethylpyrazine
CAS Number
14667-55-1
Field of Research
Metabolism Research
Purity
99.69% (May vary between batches)
Smiles
Cc1cnc (C) c (C) n1
Molecular Formula
C7H10N2
Molecular Weight
122.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Trimethylpyrazine

Trimethylpyrazine is a member of the class of pyrazines that is pyrazine in which three hydrogens at positions 2, 3 and 5 have been replaced by methyl groups. It has a role as a pheromone, a flavouring agent, an animal metabolite, a plant metabolite and a bacterial metabolite.

CAS Number14667-55-1
PubChem CID26808
IUPAC Name2,3,5-trimethylpyrazine
Molecular FormulaC7H10N2
Molecular Weight122.17
XLogP1
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity92
SMILES
CC1=CN=C(C(=N1)C)C
InChI
InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3
InChIKey
IAEGWXHKWJGQAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trimethylpyrazine
CAS: 14667-55-1
CID: 26808
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 Count0
Exact Mass122.084398327
Monoisotopic Mass122.084398327
Topological Polar Surface Area25.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity92.9
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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C6805-5002,3,5-Trimethylpyrazine
HY-W7243502,3,5-Trimethylpyrazine-d10
HY-W010476S12,3,5-Trimethylpyrazine-d3
HY-W010476S-012,3,5-Trimethylpyrazine-d9
HY-W010476R-012,3,5-Trimethylpyrazine (Standard)
OR83598-013,5,6-Trimethylpyrazine-2-carbaldehyde
T203992-012-Ethyl-3,5,6-Trimethylpyrazine
AR-P33242-012- (Hydroxymethyl) -3,5,6-trimethylpyrazine
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