5-Ethynyl-2-pyrimidinamine
[CAS# 857265-74-8]

Identification

• Name: 5-Ethynyl-2-pyrimidinamine
• Synonyms: 2-Pyrimidinamine, 5-ethynyl-; 2-Pyrimidinamine, 5-ethynyl-(9CI); 5-ethynylpyrimidin-2-amine
• Molecular Formula: C₆H₅N₃
• Molecular Weight: 119.12
• CAS Registry Number: 857265-74-8
• SMILES: C#CC1=CN=C(N=C1)N
• InChI: 1S/C6H5N3/c1-2-5-3-8-6(7)9-4-5/h1,3-4H,(H2,7,8,9)
• InChIKey: QZCOCXUODHDEBT-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 317.1±34.0°C at 760 mmHg (Cal.)
• Flash point: 171.5±12.9°C (Cal.)
• Refractive index: 1.599 (Cal.)