Nitrilotris(ethyl phosphate), sodium salt

sodium 2-[bis(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate

CAS: 68171-29-9

Molecular Formula	`C6H18NNaO12P3+`
Molecular Weight	412.12 g/mol
Topological Polar Surface Area	204.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	13
Rotatable Bonds	12
Exact Mass	411.99396
Heavy Atoms	23
Complexity	385.0

Chemical Identifiers

CAS Number	68171-29-9
SMILES	`C(COP(=O)(O)O)N(CCOP(=O)(O)O)CCOP(=O)(O)O.[Na+]`
InChIKey	`PKDCIYMJLFIYQY-UHFFFAOYSA-N`

📖 Product Overview

Nitrilotris(ethyl phosphate), sodium salt (CAS: 68171-29-9) is a chemical compound with molecular formula C6H18NNaO12P3+ and molecular weight 412.12 g/mol. Its IUPAC systematic name is sodium 2-[bis(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate. Topological Polar Surface Area 204.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 13 Rotatable Bonds 12 Exact Mass 411.99396 Heavy Atoms 23 Complexity 385.0 InChI Key: PKDCIYMJLFIYQY-UHFFFAOYSA-N. SMILES: C(COP(=O)(O)O)N(CCOP(=O)(O)O)CCOP(=O)(O)O.[Na+].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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