3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride

Base Information

• Chemical Name: 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride
• CAS No.: 126054-50-0
• Molecular Formula: C22H36 N2 O . Cl H
• Molecular Weight: 380.995
• DSSTox Substance ID: DTXSID10925391
• Mol file: 126054-50-0.mol

Synonyms:3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride;126054-50-0;Acetonitrile, (((3-beta,5-alpha,17-beta)-3-hydroxyandrostan-17-yl)methylamino)-, monohydrochloride;DTXSID10925391;[(3-Hydroxyandrostan-17-yl)(methyl)amino]acetonitrile--hydrogen chloride (1/1)

Chemical Property of 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride

Chemical Property:

• Vapor Pressure: 1.65E-11mmHg at 25°C
• Boiling Point: 486.6°Cat760mmHg
• Flash Point: 248.1°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 380.2594415
• Heavy Atom Count: 26
• Complexity: 568

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4N(C)CC#N)C)O.Cl
• Isomeric SMILES: C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@@H]4N(C)CC#N)C)O.Cl

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