4-[(2-Amino-4-Oxo-7,8-Dihydro-1H-Pteridin-6-Yl)Methylamino]Benzoic Acid
[CAS# 2134-76-1]

Identification

• Name: 4-[(2-Amino-4-Oxo-7,8-Dihydro-1H-Pteridin-6-Yl)Methylamino]Benzoic Acid
• Synonyms: 4-[(2-Amino-4-Keto-7,8-Dihydro-1H-Pteridin-6-Yl)Methylamino]Benzoic Acid; C00921; 7,8-Dihydropteroic Acid
• Molecular Formula: C₁₄H₁₄N₆O₃
• Molecular Weight: 314.30
• CAS Registry Number: 2134-76-1
• SMILES: C1=CC(=CC=C1C(=O)O)NCC3=NC2=C(NC(=NC2=O)N)NC3
• InChI: 1S/C14H14N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,16H,5-6H2,(H,22,23)(H4,15,17,19,20,21)
• InChIKey: WBFYVDCHGVNRBH-UHFFFAOYSA-N

Properties

• Density: 1.702g/cm³ (Cal.)
• Boiling point: 597.307°C at 760 mmHg (Cal.)
• Flash point: 315.04°C (Cal.)

References

• (1): Vitor Mendes, Ana Maranha, Susana Alarico and Nuno Empadinhas. Biosynthesis of mycobacterial methylglucose lipopolysaccharides, Nat. Prod. Rep., 2012, 29, 834.