5-(4-Nitrobenzyl)-2,4-pyrimidinediamine
[CAS# 69945-52-4]

Identification

• Name: 5-(4-Nitrobenzyl)-2,4-pyrimidinediamine
• Synonyms: 2,4-Diamino-5-(4-nitrobenzyl)pyrimidine; 5-(4-Nitro-benzyl)-pyrimidine-2,4-diamine
• Molecular Formula: C₁₁H₁₁N₅O₂
• Molecular Weight: 245.24
• CAS Registry Number: 69945-52-4
• SMILES: C1=CC(=CC=C1CC2=CN=C(N=C2N)N)[N+](=O)[O-]
• InChI: 1S/C11H11N5O2/c12-10-8(6-14-11(13)15-10)5-7-1-3-9(4-2-7)16(17)18/h1-4,6H,5H2,(H4,12,13,14,15)
• InChIKey: AIZLSGCCJQCUJL-UHFFFAOYSA-N

Properties

• Density: 1.368-1.488 (Expl.)
• Boiling point: 561.1±60.0°C at 760 mmHg (Cal.)
• Flash point: 293.2±32.9°C (Cal.)