Anabasamine

Base Information

• Chemical Name: Anabasamine
• CAS No.: 20410-87-1
• Molecular Formula: C16H19 N3
• Molecular Weight: 253.34
• UNII: 65LB65490V
• DSSTox Substance ID: DTXSID60942578
• Nikkaji Number: J58.210G,J2.807.450F
• Wikidata: Q27165594
• Metabolomics Workbench ID: 71633
• ChEMBL ID: CHEMBL1411372
• Mol file: 20410-87-1.mol

Synonyms:anabasamine;anabasamine monohydrochloride, (+-)-isomer

Chemical Property of Anabasamine

Chemical Property:

• Boiling Point: 391.3°Cat760mmHg
• Flash Point: 190.5°C
• PSA: 29.02000
• Density: 1.085g/cm³
• LogP: 3.23830
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 253.157897619
• Heavy Atom Count: 19
• Complexity: 281

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCCC1C2=CN=C(C=C2)C3=CN=CC=C3