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Phosphoric Acid, Ammonium Sodium Salt (1:1:1)
CAS: 13011-54-6 | H6NNaO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13011-54-6
Molecular Formula:
H6NNaO4P
Molecular Weight:
138.015 g/mol
Names and Synonyms:
Phosphoric Acid, Ammonium Sodium Salt (1:1:1)
Phosphoric acid, ammonium sodium salt (1:1:1)
Phosphoric acid, monoammonium monosodium salt
Ammonium sodium phosphate (NH4NaHPO4)
Sodium ammonium phosphate
Microcosmic salt
Ammonium sodium phosphate
Sodium ammonium hydrogen phosphate
Sodium ammonium phosphate (NaNH4HPO4)
Ammonium sodium hydrogen phosphate
Identifiers:
SMILES:
N.O=P(O)(O)O.[Na]
InChI:
InChI=1S/H3N.Na.H3O4P/c;;1-5(2,3)4/h1H3;;(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 | 138.015 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.993213582 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 4 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 | 112.76 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.1474000000000002 | RDKit |
| molecular_mass | 138.02 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=P(O)(O)O.N None | Legacy Database |
| cas-inchi | InChI=1S/H3N.Na.H3O4P/c;;1-5(2,3)4/h1H3;;(H3,1,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=YZZMZIAXNHIMTD-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Phosphoric acid, ammonium sodium salt (1:1:1) None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.039000000000005 | RDKit |
