Heptasodium diethylenetriaminepentamethylenephosphonate

Base Information

• Chemical Name: Heptasodium diethylenetriaminepentamethylenephosphonate
• CAS No.: 68155-78-2
• Deprecated CAS: 1374395-70-6
• Molecular Formula: C9H21N3Na7O15P5
• Molecular Weight: 727.07
• European Community (EC) Number: 268-990-9
• DSSTox Substance ID: DTXSID9029778
• Mol file: 68155-78-2.mol

Synonyms:heptasodium diethylenetriaminepentamethylenephosphonate;68155-78-2;Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, heptasodium salt;DTXSID9029778;heptasodium {10-hydroxy-2,5-bis[(hydroxyphosphinato)methyl]-10,10-dioxido-8-(phosphonatomethyl)-2,5,8-triaza-10-phosphadec-1-yl}phosphonate

Chemical Property of Heptasodium diethylenetriaminepentamethylenephosphonate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1003.3oC at 760mmHg
• Flash Point: 560.6oC
• PSA: 366.23000
• LogP: 0.63580
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 14
• Exact Mass: 726.8944619
• Heavy Atom Count: 39
• Complexity: 739

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CN(CP(=O)(O)[O-])CP(=O)([O-])[O-])N(CCN(CP(=O)(O)[O-])CP(=O)([O-])[O-])CP(=O)(O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]