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5-Isopentyl-2,3-dimethylpyrazine

CAT: 0572-TRC-I555220-750MGSize: 750 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I555220-750MGSize:750 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18450-01-6
Hazard Statement
No Data Available
Smiles
CC(C)CCc1cnc(C)c(C)n1
Molecular Formula
C11 H18 N2
Molecular Weight
178.274
InChI
InChI=1S/C11H18N2/c1-8(2)5-6-11-7-12-9(3)10(4)13-11/h7-8H,5-6H2,1-4H3
Additionnal Information
IUPAC name: 2,3-dimethyl-5-(3-methylbutyl)pyrazine
Shipping Conditions
Room Temperature

Chemical Information

5-Isopentyl-2,3-dimethylpyrazine
CAS Number18450-01-6
PubChem CID519566
IUPAC Name2,3-dimethyl-5-(3-methylbutyl)pyrazine
Molecular FormulaC11H18N2
Molecular Weight178.27
XLogP2.5
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity145
SMILES
CC1=NC=C(N=C1C)CCC(C)C
InChI
InChI=1S/C11H18N2/c1-8(2)5-6-11-7-12-9(3)10(4)13-11/h7-8H,5-6H2,1-4H3
InChIKey
OGUJUYCURMHXHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Isopentyl-2,3-dimethylpyrazine
CAS: 18450-01-6
CID: 519566
Formula: C11H18N2
MW: 178.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.27
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass178.146998583
Monoisotopic Mass178.146998583
Topological Polar Surface Area25.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity145
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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