4-Dibenzofurancarboxamide, N-1-azabicyclo(2.2.2)oct-3-yl-2-chloro-5a,6,7,8,9,9a-hexahydro-, (5aS-(4(R*),5aalpha,9aalpha))-

Base Information

• Chemical Name: 4-Dibenzofurancarboxamide, N-1-azabicyclo(2.2.2)oct-3-yl-2-chloro-5a,6,7,8,9,9a-hexahydro-, (5aS-(4(R*),5aalpha,9aalpha))-
• CAS No.: 136174-04-4
• Molecular Formula: C20H25 Cl N2 O2
• Molecular Weight: 360.88
• UNII: 533O919MKO
• Nikkaji Number: J346.763E
• ChEMBL ID: CHEMBL366617
• Mol file: 136174-04-4.mol

Synonyms:1-AOCDC;N-(1-azabicyclo(2.2.2)octan-3-yl)-2-chloro-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxamide

Chemical Property of 4-Dibenzofurancarboxamide, N-1-azabicyclo(2.2.2)oct-3-yl-2-chloro-5a,6,7,8,9,9a-hexahydro-, (5aS-(4(R*),5aalpha,9aalpha))-

Chemical Property:

• Vapor Pressure: 9.74E-09mmHg at 25°C
• Boiling Point: 462.6°Cat760mmHg
• PKA: 13.83±0.20(Predicted)
• Flash Point: 233.6°C
• PSA: 41.57000
• Density: 1.31g/cm³
• LogP: 3.91140
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 360.1604557
• Heavy Atom Count: 25
• Complexity: 522

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1CCC2C(C1)C3=C(O2)C(=CC(=C3)Cl)C(=O)NC4CN5CCC4CC5
• Isomeric SMILES: C1CC[C@H]2[C@@H](C1)C3=C(O2)C(=CC(=C3)Cl)C(=O)N[C@@H]4CN5CCC4CC5

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