1-(beta-Carboxyethyl)-3,3-Dimethyl-6'-Nitrospiro(Indoline- 2,2'-2H-Benzopyran)
[CAS# 55779-26-5]

Identification

• Name: 1-(beta-Carboxyethyl)-3,3-Dimethyl-6'-Nitrospiro(Indoline- 2,2'-2H-Benzopyran)
• Synonyms: 3-(3',3'-Dimethyl-6-Nitro-Spiro[Chromene-2,2'-Indoline]-1'-Yl)Propanoic Acid; 3-(3',3'-Dimethyl-6-Nitro-1'-Spiro[Chromene-2,2'-Indoline]Yl)Propanoic Acid; 3-(3',3'-Dimethyl-6-Nitro-Spiro[Chromene-2,2'-Indoline]-1'-Yl)Propionic Acid
• Molecular Formula: C₂₁H₂₀N₂O₅
• Molecular Weight: 380.40
• CAS Registry Number: 55779-26-5
• SMILES: C1=CC=CC4=C1C(C3(OC2=CC=C([N+]([O-])=O)C=C2C=C3)N4CCC(=O)O)(C)C
• InChI: 1S/C21H20N2O5/c1-20(2)16-5-3-4-6-17(16)22(12-10-19(24)25)21(20)11-9-14-13-15(23(26)27)7-8-18(14)28-21/h3-9,11,13H,10,12H2,1-2H3,(H,24,25)
• InChIKey: MHCGTEBQHSVRDP-UHFFFAOYSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 588.669°C at 760 mmHg (Cal.)
• Flash point: 309.816°C (Cal.)

References

• (1): Liu Yuanyuan. Basic amino acid induced isomerization of a spiropyran: towards visual recognition of basic amino acids in water, New Journal of Chemistry, 2007