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Molecule
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 Mass
- 144.94 g/mol
Identifiers
CAS Registry Number
12027-06-4
SMILES
I.N
InChI Key
UKFWSNCTAHXBQN-UHFFFAOYSA-N
InChI
InChI=1S/HI.H3N/h1H;1H3
Names and Synonyms
- Ammonium Iodide Common Name
- Ammonium iodide ((NH4)I) Synonym
- Ammonium iodide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.94 g/mol | CAS Common Chemistry |
| 144.94299999999998 g/mol | RDKit | |
| 144.943 g/mol | RDKit | |
| Density | 2.51 g/cm³ | CAS Common Chemistry |
| 2.514 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_iodide | CAS Common Chemistry |
| Canonical SMILES | I[NH4] | CAS Common Chemistry |
| InChI | InChI=1S/HI.H3N/h1H;1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UKFWSNCTAHXBQN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 551 °C | CAS Common Chemistry |
| Name | Ammonium iodide | CAS Common Chemistry |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.0 Ų | RDKit |
| LogP | 0.78 | RDKit |
| Molar Refractivity | 20.437100000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 144.938847128 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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.
External Resources
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MW = 144.94 g/mol; density = 2.510 g/mL. Edit any field — others recompute live.
