8-Fluoro-1,2,3,4-Tetrahydro-2,4-Methanoacridin-9-Amine 2-Hydroxy-1,2,3-Propanetricarboxylate (3:2)
[CAS# 129297-21-8]

Identification

• Name: 8-Fluoro-1,2,3,4-Tetrahydro-2,4-Methanoacridin-9-Amine 2-Hydroxy-1,2,3-Propanetricarboxylate (3:2)
• Synonyms: 9-Amino-8-Fluoro-1,2,3,4-Tetrahydro-2,4-Methanoacridine; Sm 10888; Sm-10888
• Molecular Formula: C₅₄H₅₅F₃N₆O₁₄
• Molecular Weight: 1069.06
• CAS Registry Number: 129297-21-8
• SMILES: C1=CC=C(F)C2=C(N)C3=C(N=C12)C4CC(C3)C4.C5=CC=C(F)C6=C(N)C7=C(N=C56)C8CC(C7)C8.C9=CC=C(F)C%10=C(N)C%11=C(N=C9%10)C%12CC(C%11)C%12.C(C(O)(C(=O)O)CC(=O)O)C(=O)O.C(C(O)(C(=O)O)CC(=O)O)C(=O)O
• InChI: 1S/3C14H13FN2.2C6H8O7/c3*15-10-2-1-3-11-12(10)13(16)9-6-7-4-8(5-7)14(9)17-11;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h3*1-3,7-8H,4-6H2,(H2,16,17);2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• InChIKey: VHIZLRDZOSUTLU-UHFFFAOYSA-N

Properties

• Boiling point: 420.4°C at 760 mmHg (Cal.)
• Flash point: 208.1°C (Cal.)