1-((1,1-dimethylethyl)amino)-3-(2-(1H-pyrrol-2-yl)phenoxy)-2-Propanol (E)-2-butenedioate (2:1) (salt)
[CAS# 74303-06-3]

Identification

• Name: 1-((1,1-dimethylethyl)amino)-3-(2-(1H-pyrrol-2-yl)phenoxy)-2-Propanol (E)-2-butenedioate (2:1) (salt)
• Synonyms: 2-(2-(3-Tert-Butylamino-2-Hydroxypropoxy)-Phenyl)-Pyrrol-Fumarat [German]; 2-Propanol, 1-((1,1-Dimethylethyl)Amino)-3-(2-(1H-Pyrrol-2-Yl)Phenoxy)-, (E)-2-Butenedioate (2:1) (Salt)
• Molecular Formula: C₃₈H₅₂N₄O₈
• Molecular Weight: 692.85
• CAS Registry Number: 74303-06-3
• SMILES: C2=C(C1=CC=C[NH]1)C(=CC=C2)OCC(O)CNC(C)(C)C.C4=C(C3=CC=C[NH]3)C(=CC=C4)OCC(O)CNC(C)(C)C.O=C(O)\C=C\C(=O)O
• InChI: 1S/2C17H24N2O2.C4H4O4/c2*1-17(2,3)19-11-13(20)12-21-16-9-5-4-7-14(16)15-8-6-10-18-15;5-3(6)1-2-4(7)8/h2*4-10,13,18-20H,11-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
• InChIKey: RUISEXLKASOPLF-WXXKFALUSA-N

Properties

• Boiling point: 487°C at 760 mmHg (Cal.)
• Flash point: 248.3°C (Cal.)