6-Allyl-alpha-cyanoergoline-8-propionamide
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6-Allyl-alpha-cyanoergoline-8-propionamide
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CAS No:
74627-37-5
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Formula:
C21H24N4O
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Chemical Name:
6-Allyl-alpha-cyanoergoline-8-propionamide
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Synonyms:
Ergoline-8-propionamide, 6-allyl-alpha-cyano-, (8-beta)-;6-Allyl-alpha-cyanoergoline-8-propionamide;Ergoline-8-propanamide, alpha-cyano-6-(2-propenyl)-, (8-beta)-;DTXSID60996137;LS-64498;2-Cyano-3-[6-(prop-2-en-1-yl)ergolin-8-yl]propanimidic acid
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CAS No:
Characteristics
85.9
Oral-Mouse LD50: 400 mg/kg
Flammable; burning produces toxic nitrogen oxide fumes
Safety Information
Treasury is ventilated, low temperature and dry; stored separately from food materials
Computed Properties
Molecular Weight:348.4
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:348.19501140
Monoisotopic Mass:348.19501140
Topological Polar Surface Area:85.9
Heavy Atom Count:26
Complexity:610
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
6-Allyl-alpha-cyanoergoline-8-propionamide
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