1-[(1,1-Dimethylethyl)Amino]-3-[[4-(4-Morpholinyl)-1,2,5-Thiadiazol-3-Yl]Oxy]-(2S)-2-Propanol Hydrate (2:1)
[CAS# 91524-16-2]

Identification

• Name: 1-[(1,1-Dimethylethyl)Amino]-3-[[4-(4-Morpholinyl)-1,2,5-Thiadiazol-3-Yl]Oxy]-(2S)-2-Propanol Hydrate (2:1)
• Synonyms: (2S)-1-(Tert-Butylamino)-3-[(4-Morpholino-1,2,5-Thiadiazol-3-Yl)Oxy]Propan-2-Ol; (2S)-1-(Tert-Butylamino)-3-[(4-Morpholino-1,2,5-Thiadiazol-3-Yl)Oxy]Propan-2-Ol; Hydrate; Betimol; Betimol (Tn)
• Molecular Formula: C₂₆H₅₀N₈O₇S₂
• Molecular Weight: 650.85
• CAS Registry Number: 91524-16-2
• SMILES: [C@H](O)(CNC(C)(C)C)COC1=NSN=C1N2CCOCC2.[C@H](O)(CNC(C)(C)C)COC3=NSN=C3N4CCOCC4.O
• InChI: 1S/2C13H24N4O3S.H2O/c2*1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;/h2*10,14,18H,4-9H2,1-3H3;1H2/t2*10-;/m00./s1
• InChIKey: TWBNMYSKRDRHAT-RCWTXCDDSA-N

Properties

• Boiling point: 487.2°C at 760 mmHg (Cal.)
• Flash point: 248.5°C (Cal.)