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Valerophenone, 2-ethylamino-, hydrochloride,LS-101966,1-Phenyl-2-ethyl

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摘 要:Valerophenone, 2-ethylamino-, hydrochloride,LS-101966,1-Phenyl-2-ethylamino-pentanone-(1) hydrochloride,2-(Ethylamino)-1-phenyl-1-pentanone hydrochloride,1-Pentanone, 2-(ethylamino)-1-phenyl-, hydrochloride,18268-16-1, 2-ethylamino-1-phenylpentan-1-o
[Synonyms]
Valerophenone, 2-ethylamino-, hydrochloride
LS-101966
1-Phenyl-2-ethylamino-pentanone-(1) hydrochloride
2-(Ethylamino)-1-phenyl-1-pentanone hydrochloride
1-Pentanone, 2-(ethylamino)-1-phenyl-, hydrochloride
18268-16-1

[Structure]
Valerophenone, 2-ethylamino-, hydrochloride,LS-101966,1-Phenyl-2-ethyl

[ Properties Computed from Structure]
Molecular Weight241.757 [g/mol]
Molecular FormulaC13H20ClNO
H-Bond Donor2
H-Bond Acceptor2
Rotatable Bond Count6
Tautomer Count2
Exact Mass241.123342
MonoIsotopic Mass241.123342
Topological Polar Surface Area29.1
Heavy Atom Count16
Formal Charge0
Complexity185
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count2

[ Descriptors Computed from Structure]
IUPAC Name: 2-ethylamino-1-phenylpentan-1-one hydrochloride
Canonical SMILES: CCCC(C(=O)C1=CC=CC=C1)NCC.Cl
InChI: InChI=1/C13H19NO.ClH/c1-3-8-12(14-4-2)13(15)11-9-6-5-7-10-11;/h5-7,9-10,
12,14H,3-4,8H2,1-2H3;1H

 
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