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Molecule
Methylammonium Iodide
CAS: 14965-49-2 · CH6IN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14965-49-2
- Molecular Formula
- CH6IN
- Molecular Mass
- 158.97 g/mol
Identifiers
CAS Registry Number
14965-49-2
SMILES
CN.I
InChI Key
LLWRXQXPJMPHLR-UHFFFAOYSA-N
InChI
InChI=1S/CH5N.HI/c1-2;/h2H2,1H3;1H
Names and Synonyms
- Methylammonium Iodide Common Name
- Methanamine, hydriodide Synonym
- Methylamine, hydriodide Synonym
- Methylammonium iodide Synonym
- Methylamine hydroiodide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.97 g/mol | CAS Common Chemistry |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methylammonium_iodide | CAS Common Chemistry |
| Canonical SMILES | I.NC | CAS Common Chemistry |
| InChI | InChI=1S/CH5N.HI/c1-2;/h2H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=LLWRXQXPJMPHLR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 263-265 °C | CAS Common Chemistry |
| Name | Methanamine, hydriodide | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 0.19290000000000013 | RDKit |
| 0.1929 | RDKit | |
| Molar Refractivity | 25.5264 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 158.954497192 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 158.97 g/mol. Edit any field — others recompute live.
