SODIUM AMINOTRIS(METHYLENEPHOSPHONATE)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C3H11NO9P3.Na
Molecular Weight	321.0318
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM AMINOTRIS(METHYLENEPHOSPHONATE)

Structure Search

SMILES

[Na+].OP(O)(=O)CN(CP(O)(O)=O)CP(O)([O-])=O

InChI

InChIKey=RCUMDGGJOOTRBS-UHFFFAOYSA-M

InChI=1S/C3H12NO9P3.Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C3H11NO9P3
Molecular Weight	298.042
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: http://www.dequest.com/phosphonates/dequest-2000-series/dequest-2006 | Winter, R. (2010) A Consumer's Dictionary of Cosmetic Ingredients, retrieved from: https://books.google.ru/books?id=nTvrEGi_AMoC

Pentasodium aminotrimethylene phosphonate (Dequest® 2006) is a general purpose, cost-effective scale inhibitor based on amino tri methylene phosphonic acid pentasodium salt. Dequest® 2006 provides corrosion inhibition with zinc and phosphates and is a good chelant. In cosmetics, pentasodium aminotrimethylene phosphonate is used as an emulsifier.

Approval Year

PubMed

Title	Date	PubMed
Chelation in root canal therapy reconsidered.	2005 Nov	16249726

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:41:02 GMT 2023` Edited by `admin` on `Fri Dec 15 20:41:02 GMT 2023`
Record UNII	9HON9B633X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM AMINOTRIS(METHYLENEPHOSPHONATE)

Common Name

English

NITRILOTRI(METHYLENEPHOSPHONIC ACID) SODIUM SALT

Systematic Name

English

SODIUM NITRILOTRIMETHYLENEPHOSPHONATE

Systematic Name

English

TRIS(PHOSPHONOMETHYL)AMINE SODIUM SALT

Systematic Name

English

PHOSPHONIC ACID, P,P',P''-(NITRILOTRIS(METHYLENE))TRIS-, SODIUM SALT (1:1)

Common Name

English

SODIUM(NITRILOTRIS(METHYLENE))TRISPHOSPHONATE

Systematic Name

English

PHOSPHONIC ACID, (NITRILOTRIS(METHYLENE))TRIS-, SODIUM SALT

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20873435