Ajmalan-17,21-diol--ethanol (1/1)

Base Information

• Chemical Name: Ajmalan-17,21-diol--ethanol (1/1)
• CAS No.: 60991-48-2
• Molecular Formula: C22H32N2O3
• Molecular Weight: 372.5011
• DSSTox Substance ID: DTXSID30976466

Synonyms:DTXSID30976466;Ajmalan-17,21-diol--ethanol (1/1)

Chemical Property of Ajmalan-17,21-diol--ethanol (1/1)

Chemical Property:

• Boiling Point: 519.4°Cat760mmHg
• Flash Point: 285.2°C
• PSA: 67.17000
• Density: g/cm³
• LogP: 1.55600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 372.24129289
• Heavy Atom Count: 27
• Complexity: 573

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C.CCO
• Isomeric SMILES: CC[C@@H]1[C@@H]2C[C@@H]3[C@H]4[C@]5(C[C@@H](C2C5O)N3[C@H]1O)C6=CC=CC=C6N4C.CCO

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