Estrazinol

Base Information

• Chemical Name: Estrazinol
• CAS No.: 5941-36-6
• Molecular Formula: C20H25NO2
• Molecular Weight: 311.418
• UNII: 9KLU2E3573
• DSSTox Substance ID: DTXSID10208136
• Wikipedia: Estrazinol
• Wikidata: Q24883828
• NCI Thesaurus Code: C72767
• ChEMBL ID: CHEMBL2110830
• Mol file: 5941-36-6.mol

Synonyms:ESTRAZINOL;Estrazinol [INN];UNII-9KLU2E3573;9KLU2E3573;5941-36-6;SCHEMBL637172;CHEMBL2110830;DTXSID10208136;Q27272671;(+/-)-3-METHOXY-8-AZA-19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YN-17-OL;8-Aza-19-nor-17.alpha.-pregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (.+.)-;8-Aza-19-norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17.alpha.)-(.+.)-;8-AZA-19-NORPREGNA-1,3,5(10)-TRIEN-20-YN-17-OL, 3-METHOXY-, (17.ALPHA.)-(+/-)-;BENZO(A)CYCLOPENTA(F)QUINOLIZIN-1-OL, 1-ETHYNYL-1,2,3,3A,5,6,10B,11,12,12A-DECAHYDRO-8-METHOXY-12A-METHYL-,(1R,3AR,10BR,12AS)-REL-

Chemical Property of Estrazinol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 449.8°Cat760mmHg
• Flash Point: 225.8°C
• PSA: 32.70000
• Density: 1.2g/cm³
• LogP: 2.85910
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 311.188529040
• Heavy Atom Count: 23
• Complexity: 525

Purity/Quality:

99%, ^*data from raw suppliers

ESTRAZINOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C4=C(CCN3C1CCC2(C#C)O)C=C(C=C4)OC
• Isomeric SMILES: C[C@]12CC[C@@H]3C4=C(CCN3[C@@H]1CC[C@]2(C#C)O)C=C(C=C4)OC