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Lactamide
CAS: 2043-43-8 | C3H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2043-43-8
Molecular Formula:
C3H7NO2
Molecular Mass:
89.09 g/mol
Names and Synonyms:
Lactamide
Propanamide, 2-hydroxy-
Lactamide
2-Hydroxypropanamide
Lactic amide
α-Hydroxypropionamide
2-Hydroxypropionamide
Lactic acid amide
(±)-Lactamide
DL-Lactamide
NSC 61454
NSC 9903
Identifiers:
SMILES:
CC(O)C(=N)O
InChI:
InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)
Key Properties
Melting Point
42.8 °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 | 89.09 g/mol | CAS Common Chemistry |
| 89.094 g/mol | RDKit | |
| 89.047678464 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lactamide | CAS Common Chemistry |
| Canonical SMILES | O=C(N)C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6) | CAS Common Chemistry |
| InChI Key | InChIKey=SXQFCVDSOLSHOQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 42.8 °C | CAS Common Chemistry |
| Name | Lactamide | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | -0.09753000000000012 | RDKit |
| Molar Refractivity | 22.0363 | RDKit |
