19-Azaandrostenedione

Base Information

• Chemical Name: 19-Azaandrostenedione
• CAS No.: 89578-47-2
• Molecular Formula: C18H27 N O
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID601008885
• Wikidata: Q83005502
• ChEMBL ID: CHEMBL3349932
• Mol file: 89578-47-2.mol

Synonyms:10-amino-4-estrene-3,17-dione;19-azaandrostenedione

Chemical Property of 19-Azaandrostenedione

Chemical Property:

• Vapor Pressure: 1.71E-08mmHg at 25°C
• Boiling Point: 455.8°C at 760 mmHg
• Flash Point: 229.4°C
• PSA: 60.16000
• Density: 1.18g/cm³
• LogP: 3.47890
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 287.188529040
• Heavy Atom Count: 21
• Complexity: 551

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=CC(=O)CCC34N
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34N

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