N(2)-((Chrysen-5-Yl)Methyl)Guanine
[CAS# 117606-17-4]

Identification

• Name: N(2)-((Chrysen-5-Yl)Methyl)Guanine
• Synonyms: 2-(5-Chrysenylmethylamino)-3,7-Dihydropurin-6-One; 6H-Purin-6-One, 2-((5-Chrysenylmethyl)Amino)-1,7-Dihydro-; N(2)-((Chrysen-5-Yl)Methyl)Guanine
• Molecular Formula: C₂₄H₁₇N₅O
• Molecular Weight: 391.43
• CAS Registry Number: 117606-17-4
• SMILES: C1=C(C3=C(C2=CC=CC=C12)C=CC4=CC=CC=C34)CNC5=NC(=O)C6=C(N5)N=C[NH]6
• InChI: 1S/C24H17N5O/c30-23-21-22(27-13-26-21)28-24(29-23)25-12-16-11-15-6-2-3-7-17(15)19-10-9-14-5-1-4-8-18(14)20(16)19/h1-11,13H,12H2,(H3,25,26,27,28,29,30)
• InChIKey: XINSXRDSIDZSGC-UHFFFAOYSA-N

Properties

• Density: 1.458g/cm³ (Cal.)
• Boiling point: 776.711°C at 760 mmHg (Cal.)
• Flash point: 423.54°C (Cal.)