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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
[Bis(phosphonomethyl)amino]methylphosphonic acid
Aminotrismethylene phosphonate
Aquacid 108
Aquacid 1084EX
Cublen AP 5
Dequest 2000EG
Cublen AP 1
Chelest PH 320
Mayoquest 1320
WSI 3310
WSI 3300
Briquest 301
Turpinal D 2
ATMP (phosphonic acid)
Briquest 301-50A
NTPH
Nitrilotrimethylenetris(phosphonic acid)
IC 2000
Defloc NH 05
NTP
Unihib 305
NTP-A
Sequion OA
ATMP
NTMP
Sequion 20H45
NTF
Nitrilotris(methanephosphonic acid)
1,1,1-Nitrilotris(methylphosphonic acid)
Dequest 2001
Ferrofos 509
Nitrilotrimethanephosphonic acid
Nitrilo-N,N,N-trimethylenephosphonic acid
Dequest 2000
Nitrilotris(methylphosphonic acid)
[Nitrilotris(methylene)]tris(phosphonic acid)
Nitrilo-N,N,N-tris(methylenephosphonic acid)
α,α′,α′′-Aminotris(methylphosphonic acid)
Dowell L 37
Aminotris(methanephosphonic acid)
Tris(phosphonomethyl)amine
Nitrilotrimethylphosphonic acid
Aminotri(methylenephosphonic acid)
(Nitrilotrimethylene)triphosphonic acid
[Nitrilotris(methylene)]triphosphonic acid
Aminotris(methylphosphonic acid)
Aminotris(methylenephosphonic acid)
Nitrilotri(methylenephosphonic acid)
Aminotri(methylphosphonic acid)
Tris(methylenephosphonic acid)amine
Nitrilotris(methylenephosphonic acid)
P,P′,P′′-[Nitrilotris(methylene)]tris[phosphonic acid]
Phosphonic acid, [nitrilotris(methylene)]tris-
Phosphonic acid, [nitrilotris(methylene)]tri-
Phosphonic acid, P,P′,P′′-[nitrilotris(methylene)]tris-
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 299.05 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/ATMP | Legacy Database | |
| cas-canonical-smile | O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O | 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) | Legacy Database | |
| cas-inchi-key | InChIKey=YDONNITUKPKTIG-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 208-210 °C | Legacy Database | |
| cas-name | Aminotri(methylenephosphonic acid) | Legacy Database | |
| wikipedia-name | ATMP | Legacy Database | |
| LogP | -1.3060000000000005 | RDKit | |
| Molecular | Molecular Weight | 299.049 g/mol | RDKit |
| Exact | Exact Molecular Weight | 298.972490854 g/mol | RDKit |
| Heavy | Heavy Atom Count | 16 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 6 count | RDKit | |
| Rotatable | Rotatable Bonds | 6 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 175.82999999999998 Ų | RDKit |
| Molar | Molar Refractivity | 52.57230000000003 | RDKit |
