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Atmp
CAS: 6419-19-8 | C3H12NO9P3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
6419-19-8
Molecular Formula:
C3H12NO9P3
Molecular Mass:
299.05 g/mol
Names and Synonyms:
Atmp
Phosphonic acid, P,P′,P′′-[nitrilotris(methylene)]tris-
Phosphonic acid, [nitrilotris(methylene)]tri-
Phosphonic acid, [nitrilotris(methylene)]tris-
P,P′,P′′-[Nitrilotris(methylene)]tris[phosphonic acid]
Nitrilotris(methylenephosphonic acid)
Tris(methylenephosphonic acid)amine
Aminotri(methylphosphonic acid)
Nitrilotri(methylenephosphonic acid)
Aminotris(methylenephosphonic acid)
Aminotris(methylphosphonic acid)
[Nitrilotris(methylene)]triphosphonic acid
(Nitrilotrimethylene)triphosphonic acid
Aminotri(methylenephosphonic acid)
Nitrilotrimethylphosphonic acid
Tris(phosphonomethyl)amine
Aminotris(methanephosphonic acid)
Dowell L 37
α,α′,α′′-Aminotris(methylphosphonic acid)
Nitrilo-N,N,N-tris(methylenephosphonic acid)
[Nitrilotris(methylene)]tris(phosphonic acid)
Nitrilotris(methylphosphonic acid)
Dequest 2000
Nitrilo-N,N,N-trimethylenephosphonic acid
Nitrilotrimethanephosphonic acid
Ferrofos 509
Dequest 2001
1,1,1-Nitrilotris(methylphosphonic acid)
Nitrilotris(methanephosphonic acid)
NTF
Sequion 20H45
NTMP
ATMP
Sequion OA
NTP-A
Unihib 305
NTP
Defloc NH 05
IC 2000
Nitrilotrimethylenetris(phosphonic acid)
NTPH
Briquest 301-50A
ATMP (phosphonic acid)
Turpinal D 2
Briquest 301
WSI 3300
WSI 3310
Mayoquest 1320
Chelest PH 320
Cublen AP 1
Dequest 2000EG
Cublen AP 5
Aquacid 1084EX
Aquacid 108
Aminotrismethylene phosphonate
[Bis(phosphonomethyl)amino]methylphosphonic acid
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)
Key Properties
Melting Point
208-210 °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 | 299.05 g/mol | CAS Common Chemistry |
| 299.049 g/mol | RDKit | |
| 298.972490854 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/ATMP | CAS Common Chemistry |
| Canonical SMILES | O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=YDONNITUKPKTIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 208-210 °C | CAS Common Chemistry |
| Name | Aminotri(methylenephosphonic acid) | CAS Common Chemistry |
| ATMP | CAS Common Chemistry | |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 175.82999999999998 Ų | RDKit |
| LogP | -1.3060000000000005 | RDKit |
| Molar Refractivity | 52.57230000000003 | RDKit |
