CAS 77881-13-1|(17alpha)-17-hydroxy-3-oxoandrost-4-ene-17-carbonitrile

Introduction:Basic information about CAS 77881-13-1|(17alpha)-17-hydroxy-3-oxoandrost-4-ene-17-carbonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name(17alpha)-17-hydroxy-3-oxoandrost-4-ene-17-carbonitrile
CAS Number77881-13-1Molecular Weight313.434
Density1.17±0.1 g/cm3Boiling Point498.5±45.0 °C at 760 mmHg
Molecular FormulaC20H27NO2Melting Point222-226 ºC
MSDS/Flash Point255.3±28.7 °C

Names

Name(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
SynonymMore Synonyms

Chemical & Physical Properties

Density1.17±0.1 g/cm3
Boiling Point498.5±45.0 °C at 760 mmHg
Melting Point222-226 ºC
Molecular FormulaC20H27NO2
Molecular Weight313.434
Flash Point255.3±28.7 °C
Exact Mass313.204193
PSA61.09000
LogP2.43
Vapour Pressure0.0±2.9 mmHg at 25°C
Index of Refraction1.572
InChIKeyJYCSLUASXDFIEL-HLXURNFRSA-N
SMILESCC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C#N

Synonyms

EINECS 278-780-9
Androst-4-ene-17-carbonitrile, 17-hydroxy-3-oxo-, (17α)-
17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile
(17α)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile
(17alpha)-17-hydroxy-3-oxoandrost-4-ene-17-carbonitrile
Androstenedione cyanohydrin
17alpha-Hydroxy-17beta-cyanoandrost-4-en-3-on
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