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77881-13-1

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77881-13-1 Structure

77881-13-1 Structure
IdentificationBack Directory
[Name]

(17alpha)-17-hydroxy-3-oxoandrost-4-ene-17-carbonitrile
[CAS]

77881-13-1
[Synonyms]

Cyanohydrin matter
Androstenedione cyanohydrin
17a-Hydroxy-17β-cyanoandrost-4-en-3-one
17β-cyano-17α-hydroxy-4-androsten-3-one
17a-Hydroxy-17β-cyanoandrost-4-en-3-one
17β-Cyano-17α-hydroxyandrost-4- en-3-one
17alpha-Hydroxy-17β-cyanoandrost-4-en-3-on
17alpha-Hydroxy-17beta-cyanoandrost-4-en-3-one
17beta-cyano-17alpha-Hydroxyandrost-4-en-3-one
17α-17-hydroxy-3-oxoandrost-4-ene-17-carbonitrile
(17R)-17α-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile
(17alpha)-17-hydroxy-3-oxoandrost-4-ene-17-carbonitrile
Androst-4-ene-17-carbonitrile,17-hydroxy-3-oxo-, (17a)-
Androst-4-ene-17-carbonitrile, 17-hydroxy-3-oxo-, (17α)-
(8R,9S,10R,13S,14S)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
(8R,9S,10R,13S,14S,17S)-17-Hydroxy-10,13-diMethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
[EINECS(EC#)]

278-780-9
[Molecular Formula]

C20H27NO2
[MDL Number]

MFCD18452761
[MOL File]

77881-13-1.mol
[Molecular Weight]

313.43
Chemical PropertiesBack Directory
[Melting point ]

222-226℃
[Boiling point ]

498.5±45.0 °C(Predicted)
[density ]

1.17±0.1 g/cm3(Predicted)
[vapor pressure ]

0.001Pa at 25℃
[pka]

11.20±0.60(Predicted)
[Water Solubility ]

10mg/L at 25℃
[InChI]

InChI=1/C20H27NO2/c1-18-8-5-14(22)11-13(18)3-4-15-16(18)6-9-19(2)17(15)7-10-20(19,23)12-21/h11,15-17,23H,3-10H2,1-2H3/t15-,16+,17+,18+,19+,20-/s3
[InChIKey]

JYCSLUASXDFIEL-GLPRFSKWNA-N
[SMILES]

C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@](O)(C#N)CC3)CC2 |&1:4,8,10,12,14,18,r|
[LogP]

2.43 at 25℃
Safety DataBack Directory
[REACH Registrations]

Inactive
Hazard InformationBack Directory
[Flammability and Explosibility]

Nonflammable
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