Back to Search
2-Hydroxy-2-Methylpropanamide
CAS: 13027-88-8 | C4H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13027-88-8
Molecular Formula:
C4H9NO2
Molecular Mass:
103.12 g/mol
Names and Synonyms:
2-Hydroxy-2-Methylpropanamide
Propanamide, 2-hydroxy-2-methyl-
Lactamide, 2-methyl-
2-Hydroxy-2-methylpropanamide
α-Hydroxyisobutyramide
2-Hydroxy-2-methylpropionamide
2-Methyllactamide
α-Hydroxyisobutyric acid amide
2-Hydroxyisobutyramide
Identifiers:
SMILES:
CC(C)(O)C(=N)O
InChI:
InChI=1S/C4H9NO2/c1-4(2,7)3(5)6/h7H,1-2H3,(H2,5,6)
Key Properties
Melting Point
93-94 °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 | 103.12 g/mol | CAS Common Chemistry |
| 103.121 g/mol | RDKit | |
| 103.063328528 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C(O)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO2/c1-4(2,7)3(5)6/h7H,1-2H3,(H2,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=DRYMMXUBDRJPDS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93-94 °C | CAS Common Chemistry |
| Name | 2-Hydroxy-2-methylpropanamide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 64.31 Ų | RDKit |
| LogP | 0.29257000000000005 | RDKit |
| Molar Refractivity | 26.65329999999999 | RDKit |
