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88346-54-7 | 1H-Imidazole-1-carbonitrile, 2,5-dibutyl-
CAS No: 88346-54-7 Catalog No: AG0047PY MDL No:
Product Description
Catalog Number:
AG0047PY
Chemical Name:
1H-Imidazole-1-carbonitrile, 2,5-dibutyl-
CAS Number:
88346-54-7
Molecular Formula:
C12H19N3
Molecular Weight:
205.2994
IUPAC Name:
2,5-dibutylimidazole-1-carbonitrile
InChI:
InChI=1S/C12H19N3/c1-3-5-7-11-9-14-12(8-6-4-2)15(11)10-13/h9H,3-8H2,1-2H3
InChI Key:
QXRQCOFNGQYUEF-UHFFFAOYSA-N
SMILES:
CCCCc1ncc(n1C#N)CCCC
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.158g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.305g/mol
Monoisotopic Mass:
205.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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