Pentaquine
[CAS# 86-78-2]

Identification

• Name: Pentaquine
• Synonyms: Dihydrogen Phosphate; Isopropyl-[5-[(6-Methoxy-8-Quinolyl)Amino]Pentyl]Ammonium; Dihydrogen Phosphate; 5-[(6-Methoxyquinolin-8-Yl)Amino]Pentyl-Propan-2-Yl-Azanium; 1,5-Pentanediamine, N-(6-Methoxy-8-Quinolinyl)-N'-(1-Methylethyl)-, Phosphate (1:1) (9Ci)
• Molecular Formula: C₁₈H₃₀N₃O₅P
• Molecular Weight: 399.43
• CAS Registry Number: 86-78-2 (5428-64-8)
• SMILES: O=[P]([O-])(O)O.C1=C(OC)C=C(NCCCCC[NH2+]C(C)C)C2=NC=CC=C12
• InChI: 1S/C18H27N3O.H3O4P/c1-14(2)19-9-5-4-6-10-20-17-13-16(22-3)12-15-8-7-11-21-18(15)17;1-5(2,3)4/h7-8,11-14,19-20H,4-6,9-10H2,1-3H3;(H3,1,2,3,4)
• InChIKey: MFHDWFVXLYMMKW-UHFFFAOYSA-N

Properties

• Boiling point: 472.7°C at 760 mmHg (Cal.)
• Flash point: 239.7°C (Cal.)