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Ammonium Iodide
CAS: 12027-06-4 | H4IN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12027-06-4
Molecular Formula:
H4IN
Molecular Weight:
144.94299999999998 g/mol
Names and Synonyms:
Ammonium Iodide
Ammonium iodide
Ammonium iodide ((NH4)I)
Identifiers:
SMILES:
I.N
InChI:
InChI=1S/HI.H3N/h1H;1H3
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 |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-canonical-smile | I[NH4] None | Legacy Database |
| molecular_mass | 144.94 g/mol | Legacy Database |
| density | 2.51 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ammonium_iodide None | Legacy Database |
| cas-density | 2.514 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/HI.H3N/h1H;1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=UKFWSNCTAHXBQN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 551 °C None | Legacy Database |
| cas-name | Ammonium iodide None | Legacy Database |
| wikipedia-name | Ammonium iodide None | Legacy Database |
| LogP | 0.78 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 144.94299999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 144.938847128 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 35.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.437100000000004 | RDKit |
