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88346-55-8 | 1H-Imidazole-1-carbonitrile, 2,5-bis(1-methylpropyl)-
CAS No: 88346-55-8 Catalog No: AG0047PX MDL No:
Product Description
Catalog Number:
AG0047PX
Chemical Name:
1H-Imidazole-1-carbonitrile, 2,5-bis(1-methylpropyl)-
CAS Number:
88346-55-8
Molecular Formula:
C12H19N3
Molecular Weight:
205.2994
IUPAC Name:
2,5-di(butan-2-yl)imidazole-1-carbonitrile
InChI:
InChI=1S/C12H19N3/c1-5-9(3)11-7-14-12(10(4)6-2)15(11)8-13/h7,9-10H,5-6H2,1-4H3
InChI Key:
ZMSUFWMRUPXEFH-UHFFFAOYSA-N
SMILES:
CCC(c1ncc(n1C#N)C(CC)C)C
Properties
Complexity:
243
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:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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