[2-(Aminomethyl)-4-tert-butyl-6-iodophenyl] hydrogen sulfate
[CAS# 65687-13-0]

Identification

• Name: [2-(Aminomethyl)-4-tert-butyl-6-iodophenyl] hydrogen sulfate
• Synonyms: [2-(Aminomethyl)-4-Tert-Butyl-6-Iodo-Phenyl] Hydrogen Sulfate; (O-Sulfo)-Mk-447; O-Sulfo-Mk 447
• Molecular Formula: C₁₁H₁₆INO₄S
• Molecular Weight: 385.22
• CAS Registry Number: 65687-13-0
• SMILES: C1=C(C(=C(C=C1C(C)(C)C)I)O[S](=O)(=O)O)CN
• InChI: 1S/C11H16INO4S/c1-11(2,3)8-4-7(6-13)10(9(12)5-8)17-18(14,15)16/h4-5H,6,13H2,1-3H3,(H,14,15,16)
• InChIKey: IRDCWFAOPAYRKP-UHFFFAOYSA-N

Properties

• Density: 1.718g/cm³ (Cal.)