(+-)-4'-(4-(Ethylheptylamino)-1-hydroxybutyl)methanesulfonanilide fumarate (2:1)
[CAS# 130350-52-6]

Identification

• Name: (+-)-4'-(4-(Ethylheptylamino)-1-hydroxybutyl)methanesulfonanilide fumarate (2:1)
• Synonyms: But-2-Enedioic Acid; N-[4-[4-(Ethyl-Heptyl-Amino)-1-Hydroxy-Butyl]Phenyl]Methanesulfonamide; N-[4-[4-(Ethyl-Heptyl-Amino)-1-Hydroxy-Butyl]Phenyl]Methanesulfonamide; Corvert (Tn); D00648
• Molecular Formula: C₄₄H₇₆N₄O₁₀S₂
• Molecular Weight: 885.23
• CAS Registry Number: 130350-52-6
• SMILES: C1=C(C(O)CCCN(CCCCCCC)CC)C=CC(=C1)N[S](=O)(=O)C.C2=C(C(O)CCCN(CCCCCCC)CC)C=CC(=C2)N[S](=O)(=O)C.O=C(O)\C=C\C(=O)O
• InChI: 1S/2C20H36N2O3S.C4H4O4/c2*1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25;5-3(6)1-2-4(7)8/h2*12-15,20-21,23H,4-11,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
• InChIKey: PCIOHQNIRPWFMV-WXXKFALUSA-N

Properties

• Boiling point: 522.4°C at 760 mmHg (Cal.)
• Flash point: 269.7°C (Cal.)