Diethylaminoethoxy-3-beta-hydroxy-20-beta-pregnene-5

Base Information

• Chemical Name: Diethylaminoethoxy-3-beta-hydroxy-20-beta-pregnene-5
• CAS No.: 68710-60-1
• Molecular Formula: C27H47NO2
• Molecular Weight: 417.6676
• DSSTox Substance ID: DTXSID60988411
• Mol file: 68710-60-1.mol

Synonyms:IB003;Diethylaminoethoxy-3-beta-hydroxy-20-beta-pregnene-5;68710-60-1;(3-beta,20R)-3-(2-(Diethylamino)ethoxy)pregn-5-en-20-ol;Pregn-5-en-20-ol, 3-(2-(diethylamino)ethoxy)-, (3-beta,20R)-;C27H47NO2;DTXSID60988411;C27-H47-N-O2;LS-118742;3-[2-(Diethylamino)ethoxy]pregn-5-en-20-ol

Chemical Property of Diethylaminoethoxy-3-beta-hydroxy-20-beta-pregnene-5

Chemical Property:

• Vapor Pressure: 1.18E-12mmHg at 25°C
• Boiling Point: 512.6°Cat760mmHg
• Flash Point: 263.8°C
• PSA: 32.70000
• Density: 1.03g/cm³
• LogP: 5.67320
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 417.360679742
• Heavy Atom Count: 30
• Complexity: 628

Purity/Quality:

DIETHYLAMINOETHOXY-3-BETA-HYDROXY-20-BETA-PREGNENE-5 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCOC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)O)C)C
• Isomeric SMILES: CCN(CC)CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@@H](C)O)C)C