Thymolphthalein monophosphate 2-amino-2-methyl-1,3-propanediol salt

Base Information

• Chemical Name: Thymolphthalein monophosphate 2-amino-2-methyl-1,3-propanediol salt
• CAS No.: 52279-66-0
• Molecular Formula: C28H31O7P^.C4H11NO2
• Molecular Weight: 615.6509
• European Community (EC) Number: 257-812-5
• DSSTox Substance ID: DTXSID60885996
• Mol file: 52279-66-0.mol

Synonyms:52279-66-0;Thymolphthalein monophosphate 2-amino-2-methyl-1,3-propanediol salt;EINECS 257-812-5;2-amino-2-methylpropane-1,3-diol;[4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate;poldinemetilsulfate;DTXSID60885996;C28H31O7P.C4H11NO2;FT-0746000;C28-H31-O7-P.C4-H11-N-O2;(3-(4-Hydroxy-5-isopropyl-o-tolyl)-1-oxo-3H-isobenzofuran-3-yl)-6-isopropyl-m-tolylphosphoric acid, compound with 2-amino-2-methylpropane-1,3-diol (1:1);2-amino-2-methylpropane-1,3-diol 4-(1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydroisobenzofuran-1-yl)-2-isopropyl-5-methylphenyl phosphate;3-(4-hydroxy-5-isopropyl-o-tolyl)-1-oxo-3H-isobenzofuran-3-yl]-6-isopropyl-m-tolylphosphoric acid, compound with 2-amino-2-methylpropane-1,3-diol (1:1)

Chemical Property of Thymolphthalein monophosphate 2-amino-2-methyl-1,3-propanediol salt

Chemical Property:

• Appearance/Colour: off white powder
• Vapor Pressure: 1.05E-18mmHg at 25°C
• Boiling Point: 667.1 °C at 760 mmHg
• Flash Point: 357.3 °C
• PSA: 189.58000
• LogP: 5.57830
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 615.25971891
• Heavy Atom Count: 43
• Complexity: 891

Purity/Quality:

98%min ^*data from raw suppliers

THYMOLPHTHALEIN MONOPHOSPHATE 2-AMINO-2-METHYL-1,3-PROPANEDIOL SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)OP(=O)(O)O)C(C)C)C(C)C)O.CC(CO)(CO)N