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183601-96-9 | 1-Butanone, 3-methyl-1-[5-methyl-3,6-bis(1-methylpropyl)-2-pyrazinyl]-
CAS No: 183601-96-9 Catalog No: AG0027R9 MDL No:
Product Description
Catalog Number:
AG0027R9
Chemical Name:
1-Butanone, 3-methyl-1-[5-methyl-3,6-bis(1-methylpropyl)-2-pyrazinyl]-
CAS Number:
183601-96-9
Molecular Formula:
C18H30N2O
Molecular Weight:
290.4436
IUPAC Name:
1-[3,6-di(butan-2-yl)-5-methylpyrazin-2-yl]-3-methylbutan-1-one
InChI:
InChI=1S/C18H30N2O/c1-8-12(5)16-14(7)19-17(13(6)9-2)18(20-16)15(21)10-11(3)4/h11-13H,8-10H2,1-7H3
InChI Key:
WQPHAIPXYCYGJZ-UHFFFAOYSA-N
SMILES:
CCC(c1nc(C(=O)CC(C)C)c(nc1C)C(CC)C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.236g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.451g/mol
Monoisotopic Mass:
290.236g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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