N-Formyl Varenicline

Base Information

• Chemical Name: N-Formyl Varenicline
• CAS No.: 796865-82-2
• Molecular Formula: C14H13 N3 O
• Molecular Weight: 239.27
• DSSTox Substance ID: DTXSID30437901
• Mol file: 796865-82-2.mol

Synonyms:N-Formyl Varenicline;796865-82-2;5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene-14-carbaldehyde;6,7,9,10-Tetrahydro-8H-6,10-methanoazepino[4,5-g]quinoxaline-8-carbaldehyde;SCHEMBL8203012;DTXSID30437901;AKOS030254495;FT-0668860;5,8,14-triazatetracyclo[10.3.1.0?,??.0?,?]hexadeca-2,4,6,8,10-pentaene-14-carbaldehyde

Chemical Property of N-Formyl Varenicline

Chemical Property:

• Vapor Pressure: 1.85E-09mmHg at 25°C
• Refractive Index: 1.753
• Boiling Point: 482.3°C at 760 mmHg
• Flash Point: 245.5°C
• PSA: 46.09000
• Density: 1.399g/cm³
• LogP: 2.24650
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 239.105862047
• Heavy Atom Count: 18
• Complexity: 320

Purity/Quality:

98%Min ^*data from raw suppliers

N-Formyl varenicline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CN(CC1C3=CC4=NC=CN=C4C=C23)C=O
• Uses: A metabolite of Varenicline. Metabolite M5