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2,5-Diethyl-3-methylpyrazine

CAT: 0127-OR1058123-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1058123-01Size:100 mg
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CAS Number
32736-91-7
MDL Number
MFCD18377799
Purity
97%
Smiles
CC1=NC(CC)=CN=C1CC

Chemical Information

2,5-Diethyl-3-methylpyrazine

2,5-Diethyl-3-methylpyrazine is a member of pyrazines.

CAS Number32736-91-7
PubChem CID36225
IUPAC Name2,5-diethyl-3-methylpyrazine
Molecular FormulaC9H14N2
Molecular Weight150.22
XLogP1.9
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity114
SMILES
CCC1=CN=C(C(=N1)C)CC
InChI
InChI=1S/C9H14N2/c1-4-8-6-10-9(5-2)7(3)11-8/h6H,4-5H2,1-3H3
InChIKey
RJIREWQSLPRZFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Diethyl-3-methylpyrazine
CAS: 32736-91-7
CID: 36225
Formula: C9H14N2
MW: 150.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight150.22
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass150.115698455
Monoisotopic Mass150.115698455
Topological Polar Surface Area25.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity114
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