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Ammonium Phosphate
CAS: 10361-65-6 | H12N3O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10361-65-6
Molecular Formula:
H12N3O4P
Molecular Weight:
149.08700000000002 g/mol
Names and Synonyms:
Ammonium Phosphate
Tribasic ammonium phosphate
Triammonium phosphate
Phosphoric acid, triammonium salt
Phosphoric acid, ammonium salt (1:3)
Triammonium orthophosphate
Ammonium phosphate tribasic
Ammonium phosphate ((NH4)3PO4)
Triammonium phosphate ((NH4)3PO4)
Ammonium phosphate
Identifiers:
SMILES:
N.N.N.O=P(O)(O)O
InChI:
InChI=1S/3H3N.H3O4P/c;;;1-5(2,3)4/h3*1H3;(H3,1,2,3,4)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 149.08700000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 149.05654249399998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 6 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 182.75999999999996 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.44260000000000055 | RDKit |
| molecular_mass | 149.09 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ammonium_phosphate None | Legacy Database |
| cas-canonical-smile | O=P(O)(O)O.N None | Legacy Database |
| cas-inchi | InChI=1S/3H3N.H3O4P/c;;;1-5(2,3)4/h3*1H3;(H3,1,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=ZRIUUUJAJJNDSS-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Triammonium phosphate None | Legacy Database |
| wikipedia-name | Ammonium phosphate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.32920000000001 | RDKit |
