Free Chemical Databases
-
[Synonyms]
62773-21-1
[Structure]
[ Properties Computed from Structure]
Molecular Weight 168.23614 [g/mol] Molecular Formula C9H16N2O XLogP 0.8 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 4 Tautomer Count 2 Exact Mass 168.126263 MonoIsotopic Mass 168.126263 Topological Polar Surface Area 38.1 Heavy Atom Count 12 Formal Charge 0 Complexity 130 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-(1,2-diethylimidazol-4-yl)ethanol
Canonical SMILES: CCC1=NC(=CN1CC)CCO
InChI: InChI=1/C9H16N2O/c1-3-9-10-8(5-6-12)7-11(9)4-2/h7,12H,3-6H2,1-2H3
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