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Iodoacetamide
CAS: 144-48-9 | C2H4INO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
144-48-9
Molecular Formula:
C2H4INO
Molecular Mass:
184.96 g/mol
Names and Synonyms:
Iodoacetamide
Acetamide, 2-iodo-
Acetamide, iodo-
2-Iodoacetamide
α-Iodoacetamide
Iodoacetamide
Monoiodoacetamide
Surauto
NSC 9581
Deltop
Identifiers:
SMILES:
N=C(O)CI
InChI:
InChI=1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)
Key Properties
Melting Point
94.5 °C
CAS Common Chemistry
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 |
|---|
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.96 g/mol | CAS Common Chemistry |
| 184.964 g/mol | RDKit | |
| 184.933761748 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iodoacetamide | CAS Common Chemistry |
| Canonical SMILES | O=C(N)CI | CAS Common Chemistry |
| InChI | InChI=1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=PGLTVOMIXTUURA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 94.5 °C | CAS Common Chemistry |
| Name | Iodoacetamide | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 0.95667 | RDKit |
| Molar Refractivity | 29.242499999999996 | RDKit |
