Tetrahydroalstonate d'imidazole [French]

Base Information

• Chemical Name: Tetrahydroalstonate d'imidazole [French]
• CAS No.: 77754-99-5
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.47754
• DSSTox Substance ID: DTXSID10228374
• Mol file: 77754-99-5.mol

Synonyms:Tetrahydroalstonate d'imidazole;Tetrahydroalstonate d'imidazole [French];77754-99-5;DTXSID10228374;C20H22N2O3.C3H4N2;LS-99754;C20-H22-N2-O3.C3-H4-N2

Chemical Property of Tetrahydroalstonate d'imidazole [French]

Chemical Property:

• Vapor Pressure: 4.74E-13mmHg at 25°C
• Boiling Point: 552.7°C at 760 mmHg
• Flash Point: 288.1°C
• PSA: 94.24000
• LogP: 3.43800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 406.20049070
• Heavy Atom Count: 30
• Complexity: 620

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)O)NC5=CC=CC=C45.C1=CN=CN1
• Isomeric SMILES: C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)O)NC5=CC=CC=C45.C1=CN=CN1

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