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116660-18-5 | Pyrazine, 2-(1,1-dibutylpentyl)-
CAS No: 116660-18-5 Catalog No: AG000CYN MDL No:
Product Description
Catalog Number:
AG000CYN
Chemical Name:
Pyrazine, 2-(1,1-dibutylpentyl)-
CAS Number:
116660-18-5
Molecular Formula:
C17H30N2
Molecular Weight:
262.4335
IUPAC Name:
2,3,5-tributyl-6-methylpyrazine
InChI:
InChI=1S/C17H30N2/c1-5-8-11-15-14(4)18-16(12-9-6-2)17(19-15)13-10-7-3/h5-13H2,1-4H3
InChI Key:
SKVVCYKDLOHMDG-UHFFFAOYSA-N
SMILES:
CCCCC(c1nccnc1)(CCCC)CCCC
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.241g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.441g/mol
Monoisotopic Mass:
262.241g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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