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Alprenolol TMS derivative N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-tri

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摘 要:Alprenolol TMS derivative N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine,Canonical SMILES: CC(C)NCC(COC1=CC=CC=C1CC=C)O[Si](C)(C)C,InChI: InChI=1/C18H31NO2Si/c1-7-10-16-11-8-9-12-18(16)20-14-17(13-19-15(2)3)21-,22(4,5)6/h7-9
[Synonyms]
Alprenolol TMS derivative
[Structure]
Alprenolol TMS derivative N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-tri

[ Properties Computed from Structure]
Molecular Weight321.52974 [g/mol]
Molecular FormulaC18H31NO2Si
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count10
Exact Mass321.212406
MonoIsotopic Mass321.212406
Topological Polar Surface Area30.5
Heavy Atom Count22
Formal Charge0
Complexity315
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-propan-2-yl-3-(2-prop-2-enylphenoxy)-2-trimethylsilyloxypropan-1-amine
Canonical SMILES: CC(C)NCC(COC1=CC=CC=C1CC=C)O[Si](C)(C)C
InChI: InChI=1/C18H31NO2Si/c1-7-10-16-11-8-9-12-18(16)20-14-17(13-19-15(2)3)21-
22(4,5)6/h7-9,11-12,15,17,19H,1,10,13-14H2,2-6H3

 
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