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N-Cyclobutyl noradrenalone hydrochloride,LS-13447,2-(Cyclobutylamino)-

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摘 要:N-Cyclobutyl noradrenalone hydrochloride,LS-13447,2-(Cyclobutylamino)-3',4'-dihydroxy-acetophenone hydrochloride,ACETOPHENONE, 2-(CYCLOBUTYLAMINO)-3',4'-DIHYDROXY-, HYDROCHLORIDE,13329-34-5, cyclobutyl-[2-(3,4-dihydroxyphenyl)-2-oxoet
[Synonyms]
N-Cyclobutyl noradrenalone hydrochloride
LS-13447
2-(Cyclobutylamino)-3',4'-dihydroxy-acetophenone hydrochloride
ACETOPHENONE, 2-(CYCLOBUTYLAMINO)-3',4'-DIHYDROXY-, HYDROCHLORIDE
13329-34-5

[Structure]
N-Cyclobutyl noradrenalone hydrochloride,LS-13447,2-(Cyclobutylamino)-

[ Properties Computed from Structure]
Molecular Weight257.71334 [g/mol]
Molecular FormulaC12H16ClNO3
H-Bond Donor3
H-Bond Acceptor4
Rotatable Bond Count4
Tautomer Count47
Exact Mass257.081871
MonoIsotopic Mass257.081871
Topological Polar Surface Area74.1
Heavy Atom Count17
Formal Charge0
Complexity253
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count2

[ Descriptors Computed from Structure]
IUPAC Name: cyclobutyl-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]azanium chloride
Canonical SMILES: C1CC(C1)[NH2+]CC(=O)C2=CC(=C(C=C2)O)O.[Cl-]
InChI: InChI=1/C12H15NO3.ClH/c14-10-5-4-8(6-11(10)15)12(16)7-13-9-2-1-3-9;/h4-
6,9,13-15H,1-3,7H2;1H/fC12H16NO3.Cl/h13H;1h/q+1;-1

 
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