17-beta-Hydroxy-5-alpha-androstan-3-one O-(4-nitro-m-tolyl)oxime

Base Information

• Chemical Name: 17-beta-Hydroxy-5-alpha-androstan-3-one O-(4-nitro-m-tolyl)oxime
• CAS No.: 64584-61-8
• Molecular Formula: C26H36 N2 O4
• Molecular Weight: 440.58
• Nikkaji Number: J58.237I
• Mol file: 64584-61-8.mol

Synonyms:17-beta-Hydroxy-5-alpha-androstan-3-one O-(4-nitro-m-tolyl)oxime;64584-61-8;5-alpha-ANDROSTAN-3-ONE, 17-beta-HYDROXY-, O-(4-NITRO-m-TOLYL)OXIME;LS-19409;17beta-Hydroxy-5alpha-androstan-3-one O-(4-nitro-m-tolyl)oxime

Chemical Property of 17-beta-Hydroxy-5-alpha-androstan-3-one O-(4-nitro-m-tolyl)oxime

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 571.802°C at 760 mmHg
• PKA: 15.08±0.60(Predicted)
• Flash Point: 299.616°C
• PSA: 87.64000
• Density: 1.334g/cm³
• LogP: 6.56480
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 440.26750763
• Heavy Atom Count: 32
• Complexity: 765

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)ON=C2CCC3(C(C2)CCC4C3CCC5(C4CCC5O)C)C)[N+](=O)[O-]
• Isomeric SMILES: CC1=C(C=CC(=C1)O/N=C\2/CC[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CC[C@@H]5O)C)C)[N+](=O)[O-]