Free Chemical Databases
-
[Synonyms]
BRN 0419258
LS-131698
5-22-12-00264 (Beilstein Handbook Reference)
4-Pyridinemethanol, alpha-(3-(diethylamino)-1-propynyl)-alpha-phenyl-
alpha-(3-(Diethylamino)-1-propynyl)-alpha-phenyl-4-pyridinemethanol
2128-79-2
[Structure]
[ Properties Computed from Structure]
Molecular Weight 294.39078 [g/mol] Molecular Formula C19H22N2O XLogP 2.8 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 6 Exact Mass 294.173213 MonoIsotopic Mass 294.173213 Topological Polar Surface Area 36.4 Heavy Atom Count 22 Formal Charge 0 Complexity 381 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 4-diethylamino-1-phenyl-1-pyridin-4-ylbut-2-yn-1-ol
Canonical SMILES: CCN(CC)CC#CC(C1=CC=CC=C1)(C2=CC=NC=C2)O
InChI: InChI=1/C19H22N2O/c1-3-21(4-2)16-8-13-19(22,
17-9-6-5-7-10-17)18-11-14-20-15-12-18/h5-7,9-12,14-15,22H,3-4,16H2,1-2H3
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