Thymolphthalein Monophosphoric Acid, Di-2-Amino-2-Methyl-1,3-Propanediol Salt
[CAS# 68991-93-5]

Identification

• Name: Thymolphthalein Monophosphoric Acid, Di-2-Amino-2-Methyl-1,3-Propanediol Salt
• Synonyms: 4-(3-(4-Hydroxy-5-Isopropyl-O-Tolyl)-1-Oxo-3H-Isobenzofuran-3-Yl)-6-Isopropyl-M-Tolyl Dihydrogen Phosphate, Compound With 2-Amino-2-Methylpropane-1,3-Diol (1:2)
• Molecular Formula: C₃₆H₅₃N₂O₁₁P
• Molecular Weight: 720.80
• CAS Registry Number: 68991-93-5
• EINECS: 273-657-6
• SMILES: C4=C(C1(OC(=O)C2=CC=CC=C12)C3=CC(=C(O)C=C3C)C(C)C)C(=CC(=C4C(C)C)O[P](=O)(O)O)C.C(O)C(N)(CO)C.C(O)C(N)(CO)C
• InChI: 1S/C28H31O7P.2C4H11NO2/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(30)34-28)24-14-21(16(3)4)26(12-18(24)6)35-36(31,32)33;2*1-4(5,2-6)3-7/h7-16,29H,1-6H3,(H2,31,32,33);2*6-7H,2-3,5H2,1H3
• InChIKey: GDHFONOAOFSWQN-UHFFFAOYSA-N

Properties

• Boiling point: 667.1°C at 760 mmHg (Cal.)
• Flash point: 357.3°C (Cal.)