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Dtpmp
CAS: 15827-60-8 | C9H28N3O15P5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15827-60-8
Molecular Formula:
C9H28N3O15P5
Molecular Mass:
573.20 g/mol
Names and Synonyms:
Dtpmp
Phosphonic acid, P,P′,P′′,P′′′-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-
Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-
Phosphonic acid, [[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methyl]-
P,P′,P′′,P′′′-[[(Phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis[phosphonic acid]
Diethylenetriaminepenta(methylenephosphonic acid)
Diethylenetriaminepentakis(methylenephosphonic acid)
Diethylenetriaminepentakis(methylphosphonic acid)
Ethylenetriaminepenta(methylenephosphonic acid)
Diethylenetriamine-N,N,N′,N′′,N′′-pentakis(methylenephosphonic acid)
Dequest 2060
Diethylenetriaminopenta(methylenephosphonic acid)
DTPF
Sequion 40H50
DTPP
DTPPA
DTPMP
Lonza 905
DETPMP
Diethylenetriamine-N,N,N′,N′′,N′′-penta(methylenephosphonic acid)
Dequest 2060S
Versenate PS
Cublen D 50
CIX
DQ 2060
Dequest 2060A
DTPA-P
Dequest SPE 9505
Cublen DNC 450
DTPMPA
Sirrix Antox
Identifiers:
SMILES:
O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O
InChI:
InChI=1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)
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 | 573.20 g/mol | CAS Common Chemistry |
| 573.1990000000004 g/mol | RDKit | |
| 573.020850346 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/DTPMP | CAS Common Chemistry |
| Canonical SMILES | O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27) | CAS Common Chemistry |
| InChI Key | InChIKey=DUYCTCQXNHFCSJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diethylenetriaminepenta(methylenephosphonic acid) | CAS Common Chemistry |
| DTPMP | CAS Common Chemistry | |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 10 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 297.37 Ų | RDKit |
| LogP | -2.4315999999999995 | RDKit |
| Molar Refractivity | 109.54050000000001 | RDKit |
