4-(Carbethoxynitrosamino)-1-(3-Pyridyl)-1-Butanone
[CAS# 68743-68-0]

Identification

• Name: 4-(Carbethoxynitrosamino)-1-(3-Pyridyl)-1-Butanone
• Synonyms: Ethyl N-Nitroso-N-[4-Oxo-4-(3-Pyridyl)Butyl]Carbamate; N-Nitroso-N-[4-Oxo-4-(3-Pyridyl)Butyl]Carbamic Acid Ethyl Ester; N-[4-Keto-4-(3-Pyridyl)Butyl]-N-Nitroso-Carbamic Acid Ethyl Ester
• Molecular Formula: C₁₂H₁₅N₃O₄
• Molecular Weight: 265.27
• CAS Registry Number: 68743-68-0
• SMILES: C1=C(C(CCCN(C(OCC)=O)N=O)=O)C=NC=C1
• InChI: 1S/C12H15N3O4/c1-2-19-12(17)15(14-18)8-4-6-11(16)10-5-3-7-13-9-10/h3,5,7,9H,2,4,6,8H2,1H3
• InChIKey: UFWSSCAAHBNZRO-UHFFFAOYSA-N

Properties

• Density: 1.234g/cm³ (Cal.)
• Boiling point: 408.767°C at 760 mmHg (Cal.)
• Flash point: 201.016°C (Cal.)