4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methoxy]Benzoic Acid
[CAS# 59082-04-1]

Identification

• Name: 4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methoxy]Benzoic Acid
• Synonyms: 4-[(2-Amino-4-Keto-1H-Pteridin-6-Yl)Methoxy]Benzoic Acid; Nsc48777
• Molecular Formula: C₁₄H₁₁N₅O₄
• Molecular Weight: 313.27
• CAS Registry Number: 59082-04-1
• SMILES: C2=NC1=C(C(N=C(N1)N)=O)N=C2COC3=CC=C(C=C3)C(=O)O
• InChI: 1S/C14H11N5O4/c15-14-18-11-10(12(20)19-14)17-8(5-16-11)6-23-9-3-1-7(2-4-9)13(21)22/h1-5H,6H2,(H,21,22)(H3,15,16,18,19,20)
• InChIKey: UFXDQTVHQVOABV-UHFFFAOYSA-N

Properties

• Density: 1.68g/cm³ (Cal.)
• Boiling point: 640.518°C at 760 mmHg (Cal.)
• Flash point: 341.173°C (Cal.)