N(2)-Ethylguanine
[CAS# 19545-00-7]

Identification

• Name: N(2)-Ethylguanine
• Synonyms: 2-Ethylguanine; 6H-Purin-6-One, 2-(Ethylamino)-1,7-Dihydro-; N(2)-Ethylguanine
• Molecular Formula: C₇H₉N₅O
• Molecular Weight: 179.18
• CAS Registry Number: 19545-00-7
• SMILES: C1=NC2=C([NH]1)C(=O)N=C(N2)NCC
• InChI: 1S/C7H9N5O/c1-2-8-7-11-5-4(6(13)12-7)9-3-10-5/h3H,2H2,1H3,(H3,8,9,10,11,12,13)
• InChIKey: LFCHIGIKBKLZIS-UHFFFAOYSA-N

Properties

• Density: 1.656g/cm³ (Cal.)
• Boiling point: 476.007°C at 760 mmHg (Cal.)
• Flash point: 241.68°C (Cal.)

References

• (1): Clayton Price, Michelle A. Shipman, Sarah L. Gummerson, Andrew Houlton, William Clegg and Mark R. J. Elsegood. Ruthenium–carbon bond formation via cyclometallation of a nucleobase, Dalton Trans., 2001, 0, 353.