Back to Search
Molecule
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
Identifiers
CAS Registry Number
1429-50-1
SMILES
O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
InChI Key
NFDRPXJGHKJRLJ-UHFFFAOYSA-N
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)
Names and Synonyms
- Edtmp Common Name
- Phosphonic acid, P,P′,P′′,P′′′-[1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis- Synonym
- Phosphonic acid, [ethylenebis(nitrilodimethylene)]tetra- Synonym
- Phosphonic acid, [1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis- Synonym
- P,P′,P′′,P′′′-[1,2-Ethanediylbis[nitrilobis(methylene)]]tetrakis[phosphonic acid] Synonym
- Ethylenediaminetetra(methylenephosphonic acid) Synonym
- Ethylenediaminetetrakis(methylphosphonic acid) Synonym
- Ethylenediaminotetra(methylenephosphonic acid) Synonym
- [Ethylenebis(nitrilodimethylene)]tetraphosphonic acid Synonym
- Ethylenediaminetetrakis(methylenephosphonic acid) Synonym
- Ethylenediamine-N,N,N′,N′-tetra(methylphosphonic acid) Synonym
- Ethylenedi(nitrilodimethylene)tetraphosphonic acid Synonym
- Dequest 2041 Synonym
- N,N,N′,N′-Tetrakis(phosphonomethyl)ethylenediamine Synonym
- Dequest 2040 Synonym
- Editempa Synonym
- EDTF Synonym
- EDPA Synonym
- EDTPA Synonym
- Wayplex 45K Synonym
- EDTMP Synonym
- Ethylenediamine-N,N,N′,N′-tetrakis(methylenephosphonic acid) Synonym
- EDPA (chelating agent) Synonym
- Cublen 3115 Synonym
- EDTPH Synonym
- EDTMPA Synonym
- Ethylenediaminetetramethylenephosphonate Synonym
- Briquest 422-25S Synonym
- PH 540 Synonym
- Chelest PH 540 Synonym
- Chelating agent 540 Synonym
- Cublen E 950 Synonym
- EDTMPS Synonym
- ([[2-(Bis-phosphonomethyl-amino)-ethyl]-phosphonomethyl-amino]-methyl)-phosphonic acid Synonym
- [2-[Bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 436.12 g/mol | CAS Common Chemistry |
| 436.1240000000001 g/mol | RDKit | |
| 436.124 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 |
| 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 |
| 236.6 Ų | RDKit | |
| LogP | -1.8688000000000007 | RDKit |
| -1.8688 | RDKit | |
| Molar Refractivity | 81.05640000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 435.99667059999985 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 436.12 g/mol. Edit any field — others recompute live.
