2-Methyl-2-propanyl (1R,8S)-4-nitro-11-azatricyclo[6.2.1.0^2,7]undeca-2,4,6-triene-11-carboxylate
[CAS# 942492-09-3]

Identification

• Name: 2-Methyl-2-propanyl (1R,8S)-4-nitro-11-azatricyclo[6.2.1.0^2,7]undeca-2,4,6-triene-11-carboxylate
• Synonyms: Naphthalen-1,4-imine-9-carboxylic acid,1,2,3,4-tetrahydro-6-nitro-,1,1-dimethylethyl ester,(1S,4R)-
• Molecular Formula: C₁₅H₁₈N₂O₄
• Molecular Weight: 290.31
• CAS Registry Number: 942492-09-3
• SMILES: CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C3=C2C=CC(=C3)[N+](=O)[O-]
• InChI: 1S/C15H18N2O4/c1-15(2,3)21-14(18)16-12-6-7-13(16)11-8-9(17(19)20)4-5-10(11)12/h4-5,8,12-13H,6-7H2,1-3H3/t12-,13+/m0/s1
• InChIKey: QISHSLGQRNLFBK-QWHCGFSZSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 405.2±45.0°C at 760 mmHg (Cal.)
• Flash point: 198.8±28.7°C (Cal.)
• Refractive index: 1.59 (Cal.)