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2-Ethyl-3-methylpyrazine

CAT: 0572-TRC-E260940-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E260940-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15707-23-0
Synonyms
2-Methyl-3-ethylpyrazine
Hazard Statement
Flammable liquid and vapour; UN number: UN2920; Packing Group: II
Purity
>95% (HPLC)
Smiles
CCc1nccnc1C
Molecular Formula
C7 H10 N2
Molecular Weight
122.17
InChI
InChI=1S/C7H10N2/c1-3-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3
Additionnal Information
IUPAC name: 2-ethyl-3-methyl-pyrazine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Ethyl-3-Methylpyrazine

2-Ethyl-3-methylpyrazine, 9CI is a member of pyrazines.

CAS Number15707-23-0
PubChem CID27457
IUPAC Name2-ethyl-3-methylpyrazine
Molecular FormulaC7H10N2
Molecular Weight122.17
XLogP1.1
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=CN=C1C
InChI
InChI=1S/C7H10N2/c1-3-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3
InChIKey
LNIMMWYNSBZESE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethyl-3-Methylpyrazine
CAS: 15707-23-0
CID: 27457
Formula: C7H10N2
MW: 122.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.17
XLogP31.1
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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