Yohimban, 16-alpha-methyl-

Base Information

• Chemical Name: Yohimban, 16-alpha-methyl-
• CAS No.: 549-76-8
• Molecular Formula: C20H26N2
• Molecular Weight: 294.4338
• DSSTox Substance ID: DTXSID30970227
• Nikkaji Number: J107.294C
• Wikidata: Q76010220
• Mol file: 549-76-8.mol

Synonyms:Yohimban, 16-alpha-methyl-;16-alpha-Methylyohimbane;BRN 0091189;16-Methylyohimban;DTXSID30970227;4-23-00-01650 (Beilstein Handbook Reference);(1S,15R,19S,20R)-19-methyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban

Chemical Property of Yohimban, 16-alpha-methyl-

Chemical Property:

• Vapor Pressure: 1.41E-08mmHg at 25°C
• Boiling Point: 458.1°Cat760mmHg
• Flash Point: 230.8°C
• PSA: 19.03000
• Density: 1.16g/cm³
• LogP: 4.46110
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 294.209598838
• Heavy Atom Count: 22
• Complexity: 422

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4
• Isomeric SMILES: C[C@H]1CCC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4

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