2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate)

Base Information

• Chemical Name: 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate)
• CAS No.: 142546-49-4
• Molecular Formula: C28H39 N O4
• Molecular Weight: 453.6136
• DSSTox Substance ID: DTXSID70931514
• Mol file: 142546-49-4.mol

Synonyms:2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate);A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, 2-(4-morpholineacetate);142546-49-4;DTXSID70931514;LS-97413;2,6-Diethynyl-6-hydroxy-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalen-2-yl (morpholin-4-yl)acetate

Chemical Property of 2-Ethynyl-A-norpregn-20-yne-2,17-diol 2-(4-morpholineacetate)

Chemical Property:

• Vapor Pressure: 7.2E-14mmHg at 25°C
• Boiling Point: 539.1°C at 760 mmHg
• Flash Point: 279.8°C
• Density: 1.19g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 453.28790873
• Heavy Atom Count: 33
• Complexity: 907

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4C3(CC(C4)(C#C)OC(=O)CN5CCOCC5)C
• Isomeric SMILES: C[C@]12C[C@](CC1CCC3[C@@H]2CCC4(C3CCC4(C#C)O)C)(C#C)OC(=O)CN5CCOCC5