[Nitrilotris(methylene)]trisphosphonic acid N-oxide

Base Information

• Chemical Name: [Nitrilotris(methylene)]trisphosphonic acid N-oxide
• CAS No.: 15834-10-3
• Molecular Formula: C3H12 N O10 P3
• Molecular Weight: 315.05
• Hs Code.: 2931900090
• European Community (EC) Number: 239-940-3
• DSSTox Substance ID: DTXSID201183023
• Nikkaji Number: J219.849E
• Mol file: 15834-10-3.mol

Synonyms:15834-10-3;[Nitrilotris(methylene)]trisphosphonic acid N-oxide;1-phosphono-N,N-bis(phosphonomethyl)methanamine Oxide;(Nitrilotris(methylene))trisphosphonic acid N-oxide;Tris(phosphonomethyl)amineN-oxide;ATMP N-OXIDE;SCHEMBL3388364;C3H12NO10P3;RJDKJZWFJWJOOI-UHFFFAOYSA-N;DTXSID201183023;C3-H12-N-O10-P3;W-110418;Phosphonic acid, [(oxidonitrilo)tris(methylene)]tris-;Phosphonic acid, [nitrilotris(methylene)]tris-, N-oxide;P,P',P''-[(Oxidonitrilo)tris(methylene)]tris[phosphonic acid]

Chemical Property of [Nitrilotris(methylene)]trisphosphonic acid N-oxide

Chemical Property:

• PKA: 0.19±0.10(Predicted)
• PSA: 231.45000
• LogP: -1.27250
• XLogP3: -5.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 314.96740657
• Heavy Atom Count: 17
• Complexity: 341

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C([N+](CP(=O)(O)O)(CP(=O)(O)O)[O-])P(=O)(O)O

Technology Process of [Nitrilotris(methylene)]trisphosphonic acid N-oxide

There total 3 articles about [Nitrilotris(methylene)]trisphosphonic acid N-oxide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

nitrilotriacetic acid (139-13-9,80751-51-5) → nitrilo-tris(methylenephosphonic acid) (6419-19-8,103333-74-0) + aminotrismethylenephosphonic acid N-oxide (15834-10-3)

Guidance literature:

With phosphorus(III) oxide; trifluorormethanesulfonic acid; at 45 - 50 ℃; for 3h;

Reference yield:

nitrilo-tris(methylenephosphonic acid) (6419-19-8,103333-74-0) → aminotrismethylenephosphonic acid N-oxide (15834-10-3)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; In water; at 60 ℃; pH 9;

Reference yield:

→ aminotrismethylenephosphonic acid N-oxide (15834-10-3)

Guidance literature:

NTMP + H2O2;

DOI:10.1021/ic50051a019

upstream raw materials:

nitrilo-tris(methylenephosphonic acid)

nitrilotriacetic acid

Refernces

• 1、 -. "METHOD FOR THE SYNTHESIS OF ALPHA-AMINOALKYLENEPHOSPHONIC ACID". Page/Page column 27. . Retrieved 2014/02/15.