2-Dimethylamino-6-diethyleniminophosphamido-7-methylpurine
[CAS# 42061-52-9]

Identification

• Name: 2-Dimethylamino-6-diethyleniminophosphamido-7-methylpurine
• Synonyms: N'-[Bis(Aziridin-1-Yl)Phosphoryl]-N,N,7-Trimethyl-Purine-2,6-Diamine; N'-[Bis(1-Aziridinyl)Phosphoryl]-N,N,7-Trimethylpurine-2,6-Diamine; Diethyleniminophosphoryl-(2-Dimethylamino-7-Methyl-Purin-6-Yl)Amine
• Molecular Formula: C₁₂H₁₉N₈OP
• Molecular Weight: 322.31
• CAS Registry Number: 42061-52-9
• SMILES: C4=NC1=C(C(=NC(=N1)N(C)C)N[P](N2CC2)(N3CC3)=O)[N]4C
• InChI: 1S/C12H19N8OP/c1-17(2)12-14-10-9(18(3)8-13-10)11(15-12)16-22(21,19-4-5-19)20-6-7-20/h8H,4-7H2,1-3H3,(H,14,15,16,21)
• InChIKey: KAEVHZSIYLATMK-UHFFFAOYSA-N

Properties

• Density: 1.706g/cm³ (Cal.)
• Boiling point: 528.655°C at 760 mmHg (Cal.)
• Flash point: 273.521°C (Cal.)