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N-(Hydroxymethyl)Acetamide
CAS: 625-51-4 | C3H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
625-51-4
Molecular Formula:
C3H7NO2
Molecular Mass:
89.09 g/mol
Names and Synonyms:
N-(Hydroxymethyl)Acetamide
Acetamide, N-(hydroxymethyl)-
N-(Hydroxymethyl)acetamide
Formicin
N-Methylolacetamide
Acetamidomethanol
N-Monomethylolacetamide
Monomethylolacetamide
Identifiers:
SMILES:
CC(O)=NCO
InChI:
InChI=1S/C3H7NO2/c1-3(6)4-2-5/h5H,2H2,1H3,(H,4,6)
Key Properties
Melting Point
56-57 °C @ Solvent: 1,4-Dioxane
CAS Common Chemistry
Density
1.02 g/cm³
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 | 89.09 g/mol | CAS Common Chemistry |
| 89.094 g/mol | RDKit | |
| 89.047678464 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.024 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(NCO)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO2/c1-3(6)4-2-5/h5H,2H2,1H3,(H,4,6) | CAS Common Chemistry |
| InChI Key | InChIKey=HWJHZLJIIWOTGZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 56-57 °C @ Solvent: 1,4-Dioxane | CAS Common Chemistry |
| Name | N-(Hydroxymethyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| LogP | -0.08739999999999992 | RDKit |
| Molar Refractivity | 22.823599999999995 | RDKit |
