Methyl 2-[(2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-yl)oxy]-3-[3-(trifluoromethyl)-3H-diaziren-3-yl]benzoate
[CAS# 165963-73-5]

Identification

• Name: Methyl 2-[(2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-yl)oxy]-3-[3-(trifluoromethyl)-3H-diaziren-3-yl]benzoate
• Synonyms: 2-[2-[2-(2-t-Boc-aminoethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid Methyl Ester
• Molecular Formula: C₂₁H₂₈F₃N₃O₇
• Molecular Weight: 491.46
• CAS Registry Number: 165963-73-5
• SMILES: CC(C)(C)OC(=O)NCCOCCOCCOc1c(cccc1C2(N=N2)C(F)(F)F)C(=O)OC
• InChI: 1S/C21H28F3N3O7/c1-19(2,3)34-18(29)25-8-9-31-10-11-32-12-13-33-16-14(17(28)30-4)6-5-7-15(16)20(26-27-20)21(22,23)24/h5-7H,8-13H2,1-4H3,(H,25,29)
• InChIKey: PEBFESZXMUDZTL-UHFFFAOYSA-N

Properties

• Density: 1.308g/cm³ (Cal.)
• Refractive index: 1.511 (Cal.)