1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)ethanone
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1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)ethanone
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CAS No:
91481-04-8
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Formula:
C14H15NO
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Chemical Name:
1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)ethanone
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Synonyms:
1-(2,4-Dimethyl-5-phenyl-1H-pyrrol-3-yl)ethanone;ETHANONE, 1-(2,4-DIMETHYL-5-PHENYL-1H-PYRROL-3-YL)-;91481-04-8;BRN 0147646;Ketone, (2,4-dimethyl-5-phenylpyrrol-3-yl) methyl;4-21-00-04099 (Beilstein Handbook Reference);MLS000699924;CHEMBL1444811;SCHEMBL13621207;DTXSID00238588;HMS2533C10;NCGC00247066-01;SMR000224454
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CAS No:
1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)ethanone Basic Attributes
213.27 g/mol
213.115364102 g/mol
DTXSID00238588
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| ACUTE TOXICITY DATA | LD50 - Lethal dose, 50 percent kill | Oral | Rodent - mouse | 500 mg/kg | Details of toxic effects not reported other than lethal dose value-- | Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 39,538,1984 |
Computed Properties
Molecular Weight:213.27
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:213.115364102
Monoisotopic Mass:213.115364102
Topological Polar Surface Area:32.9
Heavy Atom Count:16
Complexity:258
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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