Mandrax

Base Information

• Chemical Name: Mandrax
• CAS No.: 8076-99-1
• Molecular Formula: C33H36ClN3O2
• Molecular Weight: 542.11084
• DSSTox Substance ID: DTXSID60230604
• Mol file: 8076-99-1.mol

Synonyms:Mandrax

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Chemical Property of Mandrax

Chemical Property:

• Vapor Pressure: 6.9E-05mmHg at 25°C
• Boiling Point: 343.7°C at 760 mmHg
• Flash Point: 101.5°C
• PSA: 47.36000
• LogP: 7.15870
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 541.2496051
• Heavy Atom Count: 39
• Complexity: 602

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl