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Edtmp
CAS: 1429-50-1 | C6H20N2O12P4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1429-50-1
Molecular Formula:
C6H20N2O12P4
Molecular Mass:
436.12 g/mol
Names and Synonyms:
Edtmp
Phosphonic acid, P,P′,P′′,P′′′-[1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-
Phosphonic acid, [ethylenebis(nitrilodimethylene)]tetra-
Phosphonic acid, [1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-
P,P′,P′′,P′′′-[1,2-Ethanediylbis[nitrilobis(methylene)]]tetrakis[phosphonic acid]
Ethylenediaminetetra(methylenephosphonic acid)
Ethylenediaminetetrakis(methylphosphonic acid)
Ethylenediaminotetra(methylenephosphonic acid)
[Ethylenebis(nitrilodimethylene)]tetraphosphonic acid
Ethylenediaminetetrakis(methylenephosphonic acid)
Ethylenediamine-N,N,N′,N′-tetra(methylphosphonic acid)
Ethylenedi(nitrilodimethylene)tetraphosphonic acid
Dequest 2041
N,N,N′,N′-Tetrakis(phosphonomethyl)ethylenediamine
Dequest 2040
Editempa
EDTF
EDPA
EDTPA
Wayplex 45K
EDTMP
Ethylenediamine-N,N,N′,N′-tetrakis(methylenephosphonic acid)
EDPA (chelating agent)
Cublen 3115
EDTPH
EDTMPA
Ethylenediaminetetramethylenephosphonate
Briquest 422-25S
PH 540
Chelest PH 540
Chelating agent 540
Cublen E 950
EDTMPS
([[2-(Bis-phosphonomethyl-amino)-ethyl]-phosphonomethyl-amino]-methyl)-phosphonic acid
[2-[Bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid
Identifiers:
SMILES:
O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
InChI:
InChI=1S/C6H20N2O12P4/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)
Key Properties
Melting Point
247 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 436.12 g/mol | CAS Common Chemistry |
| 436.1240000000001 g/mol | RDKit | |
| 435.99667059999985 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/EDTMP | CAS Common Chemistry |
| Canonical SMILES | O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/C6H20N2O12P4/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20) | CAS Common Chemistry |
| InChI Key | InChIKey=NFDRPXJGHKJRLJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 247 °C | CAS Common Chemistry |
| Name | Ethylenediaminetetra(methylenephosphonic acid) | CAS Common Chemistry |
| EDTMP | CAS Common Chemistry | |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 236.59999999999997 Ų | RDKit |
| LogP | -1.8688000000000007 | RDKit |
| Molar Refractivity | 81.05640000000001 | RDKit |
