Bis[(²H₃)Methyl] 2,6-Dimethyl-4-(2-Nitrophenyl)-3,5-Pyridinedicarboxylate
[CAS# 125464-52-0]

Identification

• Name: Bis[(²H₃)Methyl] 2,6-Dimethyl-4-(2-Nitrophenyl)-3,5-Pyridinedicarboxylate
• Synonyms: Dehydro Nifedipine-d6
• Molecular Formula: C₁₇H₁₀D₆N₂O₆
• Molecular Weight: 350.36
• CAS Registry Number: 125464-52-0
• SMILES: [2H]C([2H])([2H])OC(=O)c1c(nc(c(c1c2ccccc2[N+](=O)[O-])C(=O)OC([2H])([2H])[2H])C)C
• InChI: 1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8H,1-4H3/i3D3,4D3
• InChIKey: UMQHJQGNGLQJPF-LIJFRPJRSA-N

Properties

• Density: 1.307g/cm³ (Cal.)
• Boiling point: 443.706°C at 760 mmHg (Cal.)
• Flash point: 222.146°C (Cal.)
• Refractive index: 1.576 (Cal.)