7-{[(2E)-3-Iodo-2-Propen-1-Yl](Propyl)Amino}-5,6,7,8-Tetrahydro-1-Naphthalenol Ethanedioate (1:1)
[CAS# 159651-91-9]

Identification

• Name: 7-{[(2E)-3-Iodo-2-Propen-1-Yl](Propyl)Amino}-5,6,7,8-Tetrahydro-1-Naphthalenol Ethanedioate (1:1)
• Synonyms: (RS)-trans-8-Hydroxy-2-[N-n-propyl-N-(3'-iodo-2'-propenyl)amino]tetralin oxalate; [159651-91-9]; 8-Hydroxy-PIPAT
• Molecular Formula: C₁₈H₂₄INO₅
• Molecular Weight: 461.29
• CAS Registry Number: 159651-91-9
• SMILES: CCCN(C/C=C/I)C1CCC2=C(C1)C(=CC=C2)O.C(=O)(C(=O)O)O
• InChI: 1S/C16H22INO.C2H2O4/c1-2-10-18(11-4-9-17)14-8-7-13-5-3-6-16(19)15(13)12-14;3-1(4)2(5)6/h3-6,9,14,19H,2,7-8,10-12H2,1H3;(H,3,4)(H,5,6)/b9-4+
• InChIKey: XIBSIFOFYWBOAQ-JOKMOOFLSA-N

Properties

• Refractive index: (Cal.)
• solubility: Soluble to 100 mM in ethanol and to 100 mM in DMSO