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Home > Imidazoles > 116145-77-8
116145-77-8 | 1H-Imidazole, 1-(2,2-dimethylpropyl)-5-phenyl-
CAS No: 116145-77-8 Catalog No: AG000BQT MDL No:
Product Description
Catalog Number:
AG000BQT
Chemical Name:
1H-Imidazole, 1-(2,2-dimethylpropyl)-5-phenyl-
CAS Number:
116145-77-8
Molecular Formula:
C14H18N2
Molecular Weight:
214.3061
IUPAC Name:
1-(2,2-dimethylpropyl)-5-phenylimidazole
InChI:
InChI=1S/C14H18N2/c1-14(2,3)10-16-11-15-9-13(16)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3
InChI Key:
BXYLMZAGQRTUCU-UHFFFAOYSA-N
SMILES:
CC(Cn1cncc1c1ccccc1)(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.312g/mol
Monoisotopic Mass:
214.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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