N(2)-Phenylguanine
[CAS# 40769-49-1]

Identification

• Name: N(2)-Phenylguanine
• Synonyms: Zinc01514736; 1,7-Dihydro-2-(Phenylamino)-6H-Purin-6-One; N(2)-Phenylguanine
• Molecular Formula: C₁₁H₉N₅O
• Molecular Weight: 227.23
• CAS Registry Number: 40769-49-1
• SMILES: C1=NC2=C([NH]1)C(=O)N=C(N2)NC3=CC=CC=C3
• InChI: 1S/C11H9N5O/c17-10-8-9(13-6-12-8)15-11(16-10)14-7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15,16,17)
• InChIKey: JDCULXHGRMPCAM-UHFFFAOYSA-N

Properties

• Density: 1.567g/cm³ (Cal.)
• Boiling point: 538.95°C at 760 mmHg (Cal.)
• Flash point: 279.747°C (Cal.)