1-[(1R,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-6-yl]ethanone

Base Information

• Chemical Name: 1-[(1R,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-6-yl]ethanone
• CAS No.: 6900-86-3
• Molecular Formula: C18H28N2O
• Molecular Weight: 288.4277
• DSSTox Substance ID: DTXSID60420149

Synonyms:DTXSID60420149;6900-86-3

Chemical Property of 1-[(1R,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-6-yl]ethanone

Chemical Property:

• Vapor Pressure: 3.74E-09mmHg at 25°C
• Boiling Point: 474°Cat760mmHg
• Flash Point: 240.5°C
• PSA: 32.34000
• Density: 1.12g/cm³
• LogP: 3.33770
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 288.220163521
• Heavy Atom Count: 21
• Complexity: 497

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2CC3=C(CCCN3C(=O)C)C4(C1)C2CCCN4
• Isomeric SMILES: C[C@@H]1C[C@@H]2CC3=C(CCCN3C(=O)C)[C@@]4(C1)[C@@H]2CCCN4

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