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2,3-Dimethylpyrazine

CAT: 0572-TRC-D494128-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D494128-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5910-89-4
Hazard Statement
Flammable liquid and vapour; UN number: UN1993; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cc1nccnc1C
Molecular Formula
C6H8N2
Molecular Weight
108.14
Shipping Conditions
Ice Packs
Storage Conditions
+4°C

Chemical Information

2,3-Dimethylpyrazine

2,3-Dimethylpyrazine is a member of pyrazines.

CAS Number5910-89-4
PubChem CID22201
IUPAC Name2,3-dimethylpyrazine
Molecular FormulaC6H8N2
Molecular Weight108.14
XLogP0.5
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity62
SMILES
CC1=NC=CN=C1C
InChI
InChI=1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3
InChIKey
OXQOBQJCDNLAPO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dimethylpyrazine
CAS: 5910-89-4
CID: 22201
Formula: C6H8N2
MW: 108.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight108.14
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass108.068748264
Monoisotopic Mass108.068748264
Topological Polar Surface Area25.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity62.9
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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