4-((2-Amino-4-hydroxy-6-pteridylmethyl)amino)benzoic acid
[CAS# 4955-72-0]

Identification

• Name: 4-((2-Amino-4-hydroxy-6-pteridylmethyl)amino)benzoic acid
• Synonyms: 4-[(2-Amino-4-Keto-1H-Pteridin-6-Yl)Methylamino]Benzoic Acid; 4-{[(2-Amino-3,4-Dihydro-4-Oxopteridin-6-Yl)Methyl]Amino}Benzoic Acid; 4-{[(2-Amino-4-Oxo-3,4-Dihydropteridin-6-Yl)Methyl]Amino}Benzoic Acid
• Molecular Formula: C₁₄H₁₂N₆O₃
• Molecular Weight: 312.29
• CAS Registry Number: 4955-72-0
• SMILES: C2=NC1=C(C(=O)N=C(N)N1)N=C2CNC3=CC=C(C=C3)C(O)=O
• InChI: 1S/C14H12N6O3/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/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
• InChIKey: JOAQINSXLLMRCV-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 681.6±65.0°C at 760 mmHg (Cal.)
• Flash point: 366.0±34.3°C (Cal.)

References

• (1): Carolin Thiele, Dagmar Auerbach, Gregor Jung, Lian Qiong, Marc Schneider and Gerhard Wenz. Nanoparticles of anionic starch and cationic cyclodextrin derivatives for the targeted delivery of drugs, Polym. Chem., 2011, 2, 209.