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Molecule
Ammonium Phosphate
CAS: 10361-65-6 · H12N3O4P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10361-65-6
- Molecular Formula
- H12N3O4P
- Molecular Mass
- 149.09 g/mol
Identifiers
CAS Registry Number
10361-65-6
SMILES
N.N.N.O=P(O)(O)O
InChI Key
ZRIUUUJAJJNDSS-UHFFFAOYSA-N
InChI
InChI=1S/3H3N.H3O4P/c;;;1-5(2,3)4/h3*1H3;(H3,1,2,3,4)
Names and Synonyms
- Ammonium Phosphate Common Name
- Phosphoric acid, ammonium salt (1:3) Synonym
- Phosphoric acid, triammonium salt Synonym
- Ammonium phosphate ((NH4)3PO4) Synonym
- Ammonium phosphate Synonym
- Ammonium phosphate tribasic Synonym
- Triammonium phosphate Synonym
- Triammonium orthophosphate Synonym
- Triammonium phosphate ((NH4)3PO4) Synonym
- Tribasic ammonium phosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.09 g/mol | CAS Common Chemistry |
| 149.08700000000002 g/mol | RDKit | |
| 149.087 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_phosphate | CAS Common Chemistry |
| Canonical SMILES | O=P(O)(O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/3H3N.H3O4P/c;;;1-5(2,3)4/h3*1H3;(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=ZRIUUUJAJJNDSS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Triammonium phosphate | CAS Common Chemistry |
| Ammonium phosphate | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 182.75999999999996 Ų | RDKit |
| 182.76 Ų | RDKit | |
| LogP | -0.44260000000000055 | RDKit |
| -0.4426 | RDKit | |
| Molar Refractivity | 29.32920000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 149.05654249399998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 149.09 g/mol. Edit any field — others recompute live.
