N(6)-((Chrysen-5-Yl)Methyl)Adenine
[CAS# 117606-16-3]

Identification

• Name: N(6)-((Chrysen-5-Yl)Methyl)Adenine
• Synonyms: N-(5-Chrysenylmethyl)-7H-Purin-6-Amine; Chrysen-5-Ylmethyl-(7H-Purin-6-Yl)Amine; 1H-Purin-6-Amine, N-(5-Chrysenylmethyl)-
• Molecular Formula: C₂₄H₁₇N₅
• Molecular Weight: 375.43
• CAS Registry Number: 117606-16-3
• SMILES: C2=NC1=NC=NC(=C1[NH]2)NCC4=CC3=CC=CC=C3C6=C4C5=CC=CC=C5C=C6
• InChI: 1S/C24H17N5/c1-4-8-19-15(5-1)9-10-20-18-7-3-2-6-16(18)11-17(21(19)20)12-25-23-22-24(27-13-26-22)29-14-28-23/h1-11,13-14H,12H2,(H2,25,26,27,28,29)
• InChIKey: CTFRLNJWYCKBNP-UHFFFAOYSA-N

Properties

• Density: 1.422g/cm³ (Cal.)
• Boiling point: 753.865°C at 760 mmHg (Cal.)
• Flash point: 409.723°C (Cal.)