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Molecule
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 Mass
- 299.05 g/mol
Identifiers
CAS Registry Number
6419-19-8
SMILES
O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O
InChI Key
YDONNITUKPKTIG-UHFFFAOYSA-N
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)
Names and Synonyms
- Atmp Common Name
- Phosphonic acid, P,P′,P′′-[nitrilotris(methylene)]tris- Synonym
- Phosphonic acid, [nitrilotris(methylene)]tri- Synonym
- Phosphonic acid, [nitrilotris(methylene)]tris- Synonym
- P,P′,P′′-[Nitrilotris(methylene)]tris[phosphonic acid] Synonym
- Nitrilotris(methylenephosphonic acid) Synonym
- Tris(methylenephosphonic acid)amine Synonym
- Aminotri(methylphosphonic acid) Synonym
- Nitrilotri(methylenephosphonic acid) Synonym
- Aminotris(methylenephosphonic acid) Synonym
- Aminotris(methylphosphonic acid) Synonym
- [Nitrilotris(methylene)]triphosphonic acid Synonym
- (Nitrilotrimethylene)triphosphonic acid Synonym
- Aminotri(methylenephosphonic acid) Synonym
- Nitrilotrimethylphosphonic acid Synonym
- Tris(phosphonomethyl)amine Synonym
- Aminotris(methanephosphonic acid) Synonym
- Dowell L 37 Synonym
- α,α′,α′′-Aminotris(methylphosphonic acid) Synonym
- Nitrilo-N,N,N-tris(methylenephosphonic acid) Synonym
- [Nitrilotris(methylene)]tris(phosphonic acid) Synonym
- Nitrilotris(methylphosphonic acid) Synonym
- Dequest 2000 Synonym
- Nitrilo-N,N,N-trimethylenephosphonic acid Synonym
- Nitrilotrimethanephosphonic acid Synonym
- Ferrofos 509 Synonym
- Dequest 2001 Synonym
- 1,1,1-Nitrilotris(methylphosphonic acid) Synonym
- Nitrilotris(methanephosphonic acid) Synonym
- NTF Synonym
- Sequion 20H45 Synonym
- NTMP Synonym
- ATMP Synonym
- Sequion OA Synonym
- NTP-A Synonym
- Unihib 305 Synonym
- NTP Synonym
- Defloc NH 05 Synonym
- IC 2000 Synonym
- Nitrilotrimethylenetris(phosphonic acid) Synonym
- NTPH Synonym
- Briquest 301-50A Synonym
- ATMP (phosphonic acid) Synonym
- Turpinal D 2 Synonym
- Briquest 301 Synonym
- WSI 3300 Synonym
- WSI 3310 Synonym
- Mayoquest 1320 Synonym
- Chelest PH 320 Synonym
- Cublen AP 1 Synonym
- Dequest 2000EG Synonym
- Cublen AP 5 Synonym
- Aquacid 1084EX Synonym
- Aquacid 108 Synonym
- Aminotrismethylene phosphonate Synonym
- [Bis(phosphonomethyl)amino]methylphosphonic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 299.05 g/mol | CAS Common Chemistry |
| 299.049 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 |
| 175.83 Ų | RDKit | |
| LogP | -1.3060000000000005 | RDKit |
| -1.306 | RDKit | |
| Molar Refractivity | 52.57230000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 298.972490854 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
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MW = 299.05 g/mol. Edit any field — others recompute live.
