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Atmp
CAS: 6419-19-8 | C3H12NO9P3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6419-19-8
Molecular Formula:
C3H12NO9P3
Molecular Weight:
299.049 g/mol
Names and Synonyms:
Atmp
Common Name
[Bis(phosphonomethyl)amino]methylphosphonic acid
Synonym
Aminotrismethylene phosphonate
Synonym
Aquacid 108
Synonym
Aquacid 1084EX
Synonym
Cublen AP 5
Synonym
Dequest 2000EG
Synonym
Cublen AP 1
Synonym
Chelest PH 320
Synonym
Mayoquest 1320
Synonym
WSI 3310
Synonym
WSI 3300
Synonym
Briquest 301
Synonym
Turpinal D 2
Synonym
ATMP (phosphonic acid)
Synonym
Briquest 301-50A
Synonym
NTPH
Synonym
Nitrilotrimethylenetris(phosphonic acid)
Synonym
IC 2000
Synonym
Defloc NH 05
Synonym
NTP
Synonym
Unihib 305
Synonym
NTP-A
Synonym
Sequion OA
Synonym
ATMP
Synonym
NTMP
Synonym
Sequion 20H45
Synonym
NTF
Synonym
Nitrilotris(methanephosphonic acid)
Synonym
1,1,1-Nitrilotris(methylphosphonic acid)
Synonym
Dequest 2001
Synonym
Ferrofos 509
Synonym
Nitrilotrimethanephosphonic acid
Synonym
Nitrilo-N,N,N-trimethylenephosphonic acid
Synonym
Dequest 2000
Synonym
Nitrilotris(methylphosphonic acid)
Synonym
[Nitrilotris(methylene)]tris(phosphonic acid)
Synonym
Nitrilo-N,N,N-tris(methylenephosphonic acid)
Synonym
α,α′,α′′-Aminotris(methylphosphonic acid)
Synonym
Dowell L 37
Synonym
Aminotris(methanephosphonic acid)
Synonym
Tris(phosphonomethyl)amine
Synonym
Nitrilotrimethylphosphonic acid
Synonym
Aminotri(methylenephosphonic acid)
Synonym
(Nitrilotrimethylene)triphosphonic acid
Synonym
[Nitrilotris(methylene)]triphosphonic acid
Synonym
Aminotris(methylphosphonic acid)
Synonym
Aminotris(methylenephosphonic acid)
Synonym
Nitrilotri(methylenephosphonic acid)
Synonym
Aminotri(methylphosphonic acid)
Synonym
Tris(methylenephosphonic acid)amine
Synonym
Nitrilotris(methylenephosphonic acid)
Synonym
P,P′,P′′-[Nitrilotris(methylene)]tris[phosphonic acid]
Synonym
Phosphonic acid, [nitrilotris(methylene)]tris-
Synonym
Phosphonic acid, [nitrilotris(methylene)]tri-
Synonym
Phosphonic acid, P,P′,P′′-[nitrilotris(methylene)]tris-
Synonym
Identifiers:
SMILES:
O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O
InChI:
InChI=1S/C3H12NO9P3/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)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 299.05 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/ATMP None | Legacy Database |
| cas-canonical-smile | O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O None | Legacy Database |
| cas-inchi | InChI=1S/C3H12NO9P3/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) None | Legacy Database |
| cas-inchi-key | InChIKey=YDONNITUKPKTIG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 208-210 °C None | Legacy Database |
| cas-name | Aminotri(methylenephosphonic acid) None | Legacy Database |
| wikipedia-name | ATMP None | Legacy Database |
| LogP | -1.3060000000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 299.049 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 298.972490854 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 16 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 6 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 175.82999999999998 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 52.57230000000003 | RDKit |