4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid

Base Information

• Chemical Name: 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid
• CAS No.: 123743-84-0
• Molecular Formula: C10H13 N3 O3
• Molecular Weight: 223.23
• UNII: 9HZ8KW1KKI
• DSSTox Substance ID: DTXSID00924590
• Nikkaji Number: J392.711C
• Mol file: 123743-84-0.mol

Synonyms:4-(methylnitrosamino)-4-(3-pyridyl)butyric acid;iso-NNAC

Chemical Property of 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid

Chemical Property:

• Vapor Pressure: 3.63E-10mmHg at 25°C
• Boiling Point: 483.7°Cat760mmHg
• Flash Point: 246.3°C
• PSA: 82.86000
• Density: 1.26g/cm³
• LogP: 1.60070
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 223.09569129
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

97% ^*data from raw suppliers

4-(Methylnitrosamino)-4-(3-pyridyl)butyricAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C(CCC(=O)O)C1=CN=CC=C1)N=O
• Uses: Iso-NNAC was found in cigarette tobacco

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