2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline

Base Information

• Chemical Name: 2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline
• CAS No.: 545-68-6
• Molecular Formula: C17H19NO3
• Molecular Weight: 285.34
• DSSTox Substance ID: DTXSID00392795
• Nikkaji Number: J3.388.624A
• Wikidata: Q82191210
• Mol file: 545-68-6.mol

Synonyms:545-68-6;AC1MRPWB;DTXSID00392795;CBA74043;2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline;B0005-177886

Chemical Property of 2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline

Chemical Property:

• Vapor Pressure: 3.81E-09mmHg at 25°C
• Melting Point: 241-242 °C
• Boiling Point: 473.8°C at 760 mmHg
• PKA: 10.37±0.40(Predicted)
• Flash Point: 141.2°C
• PSA: 30.93000
• Density: 1.21g/cm³
• LogP: 2.61000
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 313.16779360
• Heavy Atom Count: 23
• Complexity: 517

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1