Ethynylestradiol 3-dimethylaminopropionate

Base Information

• Chemical Name: Ethynylestradiol 3-dimethylaminopropionate
• CAS No.: 60257-22-9
• Molecular Formula: C25H33NO3
• Molecular Weight: 395.5344
• DSSTox Substance ID: DTXSID70209008
• Wikidata: Q83083159

Synonyms:ethynylestradiol 3-dimethylaminopropionate

Chemical Property of Ethynylestradiol 3-dimethylaminopropionate

Chemical Property:

• Vapor Pressure: 1.1E-11mmHg at 25°C
• Boiling Point: 521.1°C at 760 mmHg
• Flash Point: 269°C
• PSA: 49.77000
• Density: 1.17g/cm³
• LogP: 3.76410
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 395.24604391
• Heavy Atom Count: 29
• Complexity: 681

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC(=O)CCN(C)C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC(=O)CCN(C)C

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