2,3-Dimethyl-5-(2-methylbutyl) pyrazine

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Last update: 2017-12-25 21:56
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Detail of 54410-83-2
Name:5-ISOBUTYL-2,3-DIMETHYLPYRAZINE
Molecular Formula:C10H16N2
CAS No.:54410-83-2
Synonyms:2,3-DIMETHYL-5-ISOBUTYLPYRAZINE;5-ISOBUTYL-2,3-DIMETHYLPYRAZINE;Pyrazine, 2,3-dimethyl-5-(2-methylpropyl)-;Pyrazine, 2,3-dimethyl-5-isobutyl
Molecular Weight:164.25
Name: 5-ISOBUTYL-2,3-DIMETHYLPYRAZINE
Molecular Structure:
C10H16N2




[ Properties Computed from Structure]

Molecular Weight 178.27402 [g/mol]
Molecular Formula C11H18N2
XLogP 2.8
H-Bond Donor 0
H-Bond Acceptor 2
Rotatable Bond Count 3
Tautomer Count 2
Exact Mass 178.146999
MonoIsotopic Mass 178.146999
Topological Polar Surface Area 25.8
Heavy Atom Count 13
Formal Charge 0
Complexity 147
Isotope Atom Count 0
Defined Atom StereoCenter Count 0
Undefined Atom StereoCenter Count 1
Defined Bond StereoCenter Count 0
Undefined Bond StereoCenter Count 0
Covalently-Bonded Unit Count 1


[ Descriptors Computed from Structure]
IUPAC Name: 2,5-dimethyl-3-(2-methylbutyl)pyrazine
Canonical SMILES: CCC(C)CC1=NC(=CN=C1C)C
InChI: InChI=1/C11H18N2/c1-5-8(2)6-11-10(4)12-7-9(3)13-11/h7-8H,5-6H2,1-4H3

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