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吡罗克酮乙醇胺 |
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| 吡罗克酮乙醇胺的合成技术（欧美专利等） |
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| 咨询者：阿德 咨询时间：2009--0-5- 有效期：7天 |
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 状态：已处理 |
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| [Synonyms]
Octopirox
Octopirox (TN)
PIROCTONE OLAMINE
Piroctone ethanolamine salt
Piroctone olamine [USAN]
Piroctone olamine (USAN)
C14H23NO2.C2H7NO
EINECS 272-574-2
LS-133057
D05505
[Structure]
[ Properties Computed from Structure]
Molecular Weight 298.421 [g/mol]
Molecular Formula C16H30N2O3
H-Bond Donor 3
H-Bond Acceptor 4
Rotatable Bond Count 5
Exact Mass 298.225643
MonoIsotopic Mass 298.225643
Topological Polar Surface Area 86.8
Heavy Atom Count 21
Formal Charge 0
Complexity 371
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 2
[ Descriptors Computed from Structure]
IUPAC Name: 2-aminoethanol;
1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one
Canonical SMILES: CC1=CC(=O)N(C(=C1)CC(C)CC(C)(C)C)O.C(CO)N
InChI: InChI=1/C14H23NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,
4)5;3-1-2-4/h6,8,11,17H,7,9H2,1-5H3;4H,1-3H2 |
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