N-Nitrosoguvacoline

Base Information

• Chemical Name: N-Nitrosoguvacoline
• CAS No.: 55557-02-3
• Molecular Formula: C7H10 N2 O3
• Molecular Weight: 170.19
• UNII: DT8D8H2TX8
• DSSTox Substance ID: DTXSID6021038
• Nikkaji Number: J125.706D
• Wikidata: Q27156024
• ChEMBL ID: CHEMBL165231
• Mol file: 55557-02-3.mol

Synonyms:N-nitrosoguvacoline

Chemical Property of N-Nitrosoguvacoline

Chemical Property:

• Vapor Pressure: 0.000557mmHg at 25°C
• Refractive Index: 1.4880 (estimate)
• Boiling Point: 95-100°C@0.1Torr
• Flash Point: 142.3°C
• PSA: 58.97000
• Density: 1.28g/cm³
• LogP: 0.41080
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 170.06914219
• Heavy Atom Count: 12
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

N-Nitroso guvacoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrosamines
• Canonical SMILES: COC(=O)C1=CCCN(C1)N=O
• Uses: An standard for the determination fo Nitrosamine in tobacco smoke N-Nitrosoguvacoline (NG), one of the N-nitrosation products of arecoline, is the only one N-nitrosamine found in Taiwanese betel quid chewing saliva. Nitrosamine in tobacco smoke. N-Nitrosoguvacoline (NG), one of the N-nitrosation products of arecoline, is the only one N-nitrosamine found in Taiwanese betel quid chewing saliva. It is used as a standard for the determination of Nitrosamine in tobacco smoke.