Ersilan

Base Information

• Chemical Name: Ersilan
• CAS No.: 135556-19-3
• Molecular Formula: C44H53N9O8
• Molecular Weight: 835.94712
• DSSTox Substance ID: DTXSID40929049
• Mol file: 135556-19-3.mol

Synonyms:Ersilan

Chemical Property of Ersilan

Chemical Property:

• Vapor Pressure: 8.49E-35mmHg at 25°C
• Boiling Point: 899.3°Cat760mmHg
• Flash Point: 497.7°C
• PSA: 203.75000
• Density: g/cm³
• LogP: 1.79720
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 835.40170968
• Heavy Atom Count: 61
• Complexity: 1530

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO
• Isomeric SMILES: CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO