Corrin

Base Information

• Chemical Name: Corrin
• CAS No.: 262-76-0
• Molecular Formula: C19H22 N4
• Molecular Weight: 306.4
• UNII: 288E04GRMT
• DSSTox Substance ID: DTXSID70893668
• Nikkaji Number: J1.177.189K
• Wikipedia: Corrin
• Metabolomics Workbench ID: 54874
• Mol file: 262-76-0.mol

Synonyms:corrin

Chemical Property of Corrin

Chemical Property:

• Vapor Pressure: 1.98E-09mmHg at 25°C
• Boiling Point: 481.5°Cat760mmHg
• PKA: 9.44±0.20(Predicted)
• Flash Point: 245°C
• PSA: 49.11000
• Density: 1.42g/cm³
• LogP: 2.11230
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 306.18444672
• Heavy Atom Count: 23
• Complexity: 733

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=NC1C3CCC(=N3)C=C4CCC(=N4)C=C5CCC(=C2)N5
• Isomeric SMILES: C1CC\2=NC1C3CCC(=N3)/C=C\4/CCC(=N4)/C=C\5/CC/C(=C2)/N5