Einecs 273-657-6

Base Information

• Chemical Name: Einecs 273-657-6
• CAS No.: 68991-93-5
• Molecular Formula: C36H53N2O11P
• Molecular Weight: 720.79
• European Community (EC) Number: 273-657-6
• DSSTox Substance ID: DTXSID90887640
• Mol file: 68991-93-5.mol

Synonyms:68991-93-5;EINECS 273-657-6;DTXSID90887640;Thymolphthalein monophosphoric acid,di-2-amino-2-methyl-1,3-propanediol salt;2-Amino-2-methylpropane-1,3-diol hemi(4-(1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydroisobenzofuran-1-yl)-2-isopropyl-5-methylphenyl phosphate);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)

Chemical Property of Einecs 273-657-6

Chemical Property:

• Vapor Pressure: 1.05E-18mmHg at 25°C
• Boiling Point: 667.1°C at 760 mmHg
• Flash Point: 357.3°C
• PSA: 256.06000
• LogP: 4.96700
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 10
• Exact Mass: 720.33869751
• Heavy Atom Count: 50
• Complexity: 891

Purity/Quality:

98%min ^*data from raw 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.CC(CO)(CO)N