Ethyl N-[1-Oxo-5-(1H-Purin-6-Ylthio)Pentyl]Glycinate
[CAS# 22181-94-8]

Identification

• Name: Ethyl N-[1-Oxo-5-(1H-Purin-6-Ylthio)Pentyl]Glycinate
• Synonyms: 2-[[1-Oxo-5-(7H-Purin-6-Ylthio)Pentyl]Amino]Acetic Acid Ethyl Ester; 2-[5-(7H-Purin-6-Ylthio)Pentanoylamino]Acetic Acid Ethyl Ester; Ethyl 2-[5-(7H-Purin-6-Ylsulfanyl)Pentanoylamino]Ethanoate
• Molecular Formula: C₁₄H₁₉N₅O₃S
• Molecular Weight: 337.40
• CAS Registry Number: 22181-94-8
• EINECS: 244-821-4
• SMILES: C2=NC1=C(C(=NC=N1)SCCCCC(NCC(OCC)=O)=O)[NH]2
• InChI: 1S/C14H19N5O3S/c1-2-22-11(21)7-15-10(20)5-3-4-6-23-14-12-13(17-8-16-12)18-9-19-14/h8-9H,2-7H2,1H3,(H,15,20)(H,16,17,18,19)
• InChIKey: GOZRRIWDZQPGMN-UHFFFAOYSA-N

Properties

• Density: 1.342g/cm³ (Cal.)
• Boiling point: 646.204°C at 760 mmHg (Cal.)
• Flash point: 344.612°C (Cal.)