(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile

Catalog No: FT-0773650

CAS No: 1434-54-4

Chemical Name: (3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile
Molecular Formula: C22H31NO2
Molecular Weight: 341.5
InChI Key: VSBHRRMYCDQLJF-ZDNYCOCVSA-N
InChI: InChI=1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Bolling_Point:	508.5±50.0 °C at 760 mmHg
MF:	C22H31NO2
Density:	1.1±0.1 g/cm3
Product_Name:	Pregnenolone 16α-carbonitrile
FW:	341.487
CAS:	1434-54-4
Flash_Point:	261.3±30.1 °C
Melting_Point:	N/A

Vapor_Pressure:	0.0±3.0 mmHg at 25°C
More_Info:	['1 . Appearance Unknow。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index Unknow ', '8 . Flash point（ºC） 93 ', '9 . Specific rotation（º） Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,25ºC） Unknow ', '12 . Saturated vapor pressure（kPa,60ºC） Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC） Unknow ', '15 . Critical pressure（KPa） Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V） Unknow ', '19 . Solubility Unknow']
LogP:	3.22
Bolling_Point:	508.5±50.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :3 ', '6. TPSA 611 ', '7. Heavy Atom Count :25 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :673 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :8 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Exact_Mass:	341.235474
MF:	C22H31NO2
Density:	1.1±0.1 g/cm3
FW:	341.487
PSA:	61.09000
Flash_Point:	261.3±30.1 °C
Molecular_Structure:	['1. Molar refractive index 969 ', '2. Molar volume 3004 ', '3. Parachor （902K）7891 ', '4. Surface tension 476 ', '5. Dielectric constant N/A ', '6. Polarizability 3841 ', '7. Single isotope mass 341235479 Da ', '8. Nominal mass 341 Da ', '9. Average mass 341487 Da']
Refractive_Index:	1.558