4-Aza-5alpha-androstane-3,17-dione

Base Information

• Chemical Name: 4-Aza-5alpha-androstane-3,17-dione
• CAS No.: 76318-69-9
• Molecular Formula: C₁₈H₂₇NO₂
• Molecular Weight: 289.418
• European Community (EC) Number: 616-323-0
• DSSTox Substance ID: DTXSID601305738

Synonyms:4-Aza-5alpha-androstane-3,17-dione;SCHEMBL7522879;DTXSID601305738;76318-69-9

Chemical Property of 4-Aza-5alpha-androstane-3,17-dione

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 289.204179104
• Heavy Atom Count: 21
• Complexity: 501

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC12CCC(=O)NC1CCC3C2CCC4(C3CCC4=O)C
• Isomeric SMILES: C[C@]12CCC(=O)N[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C

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