Diethyl [(2-Pyrimidinylamino)Methylene]Malonate
[CAS# 21025-62-7]

Identification

• Name: Diethyl [(2-Pyrimidinylamino)Methylene]Malonate
• Synonyms: 1,3-diethyl 2-[(pyrimidin-2-ylamino)methylidene]propanedioate; 1,3-diethyl 2-{[(pyrimidin-2-yl)amino]methylidene}propanedioate; 2-(Pyrimidin-2-ylaminomethylene)-malonic acid diethyl ester
• Molecular Formula: C₁₂H₁₅N₃O₄
• Molecular Weight: 265.27
• CAS Registry Number: 21025-62-7
• SMILES: O=C(OCC)/C(=C\Nc1ncccn1)C(=O)OCC
• InChI: 1S/C12H15N3O4/c1-3-18-10(16)9(11(17)19-4-2)8-15-12-13-6-5-7-14-12/h5-8H,3-4H2,1-2H3,(H,13,14,15)
• InChIKey: CKTKOLMBPODIBB-UHFFFAOYSA-N

Properties

• Desity: 1.256g/cm³ (Cal.)
• Melting point: 115-117°C (Expl.)
• Boiling point: 365.372°C at 760 mmHg (Cal.)
• Flash point: 174.771°C (Cal.)
• Refractive index: 1.556 (Cal.)