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2-Ethoxy-3-ethylpyrazine

CAT: 0572-TRC-E676568-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-E676568-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
35243-43-7
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CCOc1nccnc1CC
Molecular Formula
C8H12N2O
Molecular Weight
152.19
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Ethoxy-3-ethylpyrazine
CAS Number35243-43-7
PubChem CID520722
IUPAC Name2-ethoxy-3-ethylpyrazine
Molecular FormulaC8H12N2O
Molecular Weight152.19
XLogP2.2
Topological Polar Surface Area35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity108
SMILES
CCC1=NC=CN=C1OCC
InChI
InChI=1S/C8H12N2O/c1-3-7-8(11-4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3
InChIKey
TYSHGGVMHVIOMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethoxy-3-ethylpyrazine
CAS: 35243-43-7
CID: 520722
Formula: C8H12N2O
MW: 152.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.19
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass152.094963011
Monoisotopic Mass152.094963011
Topological Polar Surface Area35 Ų
Heavy Atom Count11
Formal Charge0
Complexity108
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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