2-[3-[(1,1-Dimethylethyl)Amino]-2-Hydroxypropoxy]-5-[(2-Thienylcarbonyl)Amino]-Benzoic Acid Ethyl Ester
[CAS# 90055-97-3]

Identification

• Name: 2-[3-[(1,1-Dimethylethyl)Amino]-2-Hydroxypropoxy]-5-[(2-Thienylcarbonyl)Amino]-Benzoic Acid Ethyl Ester
• Synonyms: Ethyl 2-[3-(Tert-Butylamino)-2-Hydroxy-Propoxy]-5-(Thiophene-2-Carbonylamino)Benzoate; 2-[3-(Tert-Butylamino)-2-Hydroxypropoxy]-5-[[Oxo-(2-Thienyl)Methyl]Amino]Benzoic Acid Ethyl Ester; 2-[3-(Tert-Butylamino)-2-Hydroxy-Propoxy]-5-(Thiophene-2-Carbonylamino)Benzoic Acid Ethyl Ester
• Molecular Formula: C₂₁H₂₈N₂O₅S
• Molecular Weight: 420.52
• CAS Registry Number: 90055-97-3
• SMILES: C2=C(NC(C1=CC=CS1)=O)C=CC(=C2C(OCC)=O)OCC(CNC(C)(C)C)O
• InChI: 1S/C21H28N2O5S/c1-5-27-20(26)16-11-14(23-19(25)18-7-6-10-29-18)8-9-17(16)28-13-15(24)12-22-21(2,3)4/h6-11,15,22,24H,5,12-13H2,1-4H3,(H,23,25)
• InChIKey: PHMRLCQEIQGCHH-UHFFFAOYSA-N

Properties

• Density: 1.23g/cm³ (Cal.)
• Boiling point: 524.357°C at 760 mmHg (Cal.)
• Flash point: 270.922°C (Cal.)