2-[3-[(1,1-Dimethylethyl)Amino]-2-Hydroxypropoxy]-5-[(2-Thienylcarbonyl)Amino]-Benzoic Acid Ethyl Ester Hydrochloride (1:1)
[CAS# 97067-66-8]

Identification

• Name: 2-[3-[(1,1-Dimethylethyl)Amino]-2-Hydroxypropoxy]-5-[(2-Thienylcarbonyl)Amino]-Benzoic Acid Ethyl Ester Hydrochloride (1:1)
• Synonyms: Ethyl 2-[3-(Tert-Butylamino)-2-Hydroxy-Propoxy]-5-(Thiophene-2-Carbonylamino)Benzoate Hydrochloride; 2-[3-(Tert-Butylamino)-2-Hydroxypropoxy]-5-[[Oxo-(2-Thienyl)Methyl]Amino]Benzoic Acid Ethyl Ester Hydrochloride; 2-[3-(Tert-Butylamino)-2-Hydroxy-Propoxy]-5-(2-Thenoylamino)Benzoic Acid Ethyl Ester Hydrochloride
• Molecular Formula: C₂₁H₂₉ClN₂O₅S
• Molecular Weight: 456.98
• CAS Registry Number: 97067-66-8
• SMILES: [H+].C1=CC(=CC(=C1OCC(O)CNC(C)(C)C)C(OCC)=O)NC(=O)C2=CC=CS2.[Cl-]
• InChI: 1S/C21H28N2O5S.ClH/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);1H
• InChIKey: FWGXTTIVZNMWES-UHFFFAOYSA-N

Properties

• Boiling point: 524.4°C at 760 mmHg (Cal.)
• Flash point: 270.9°C (Cal.)