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Molecule
Phosphoric Acid, Ammonium Sodium Salt (1:1:1)
CAS: 13011-54-6 · H6NNaO4P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13011-54-6
- Molecular Formula
- H6NNaO4P
- Molecular Mass
- 138.02 g/mol
Identifiers
CAS Registry Number
13011-54-6
SMILES
N.O=P(O)(O)O.[Na]
InChI Key
YZZMZIAXNHIMTD-UHFFFAOYSA-N
InChI
InChI=1S/H3N.Na.H3O4P/c;;1-5(2,3)4/h1H3;;(H3,1,2,3,4)
Names and Synonyms
- Phosphoric Acid, Ammonium Sodium Salt (1:1:1) Synonym
- Phosphoric acid, ammonium sodium salt (1:1:1) Synonym
- Phosphoric acid, monoammonium monosodium salt Synonym
- Ammonium sodium phosphate (NH4NaHPO4) Synonym
- Sodium ammonium phosphate Synonym
- Microcosmic salt Synonym
- Ammonium sodium phosphate Synonym
- Sodium ammonium hydrogen phosphate Synonym
- Sodium ammonium phosphate (NaNH4HPO4) Synonym
- Ammonium sodium hydrogen phosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.02 g/mol | CAS Common Chemistry |
| 138.015 g/mol | RDKit | |
| 139.023 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=P(O)(O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/H3N.Na.H3O4P/c;;1-5(2,3)4/h1H3;;(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=YZZMZIAXNHIMTD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Phosphoric acid, ammonium sodium salt (1:1:1) | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 112.76 Ų | RDKit |
| 103.35 Ų | chempirical lib | |
| LogP | -1.1474000000000002 | RDKit |
| -1.1474 | RDKit | |
| Molar Refractivity | 25.039000000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 137.993213582 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 138.02 g/mol. Edit any field — others recompute live.
