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Lactamide Mea
CAS: 5422-34-4 | C5H11NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5422-34-4
Molecular Formula:
C5H11NO3
Molecular Weight:
133.14700000000002 g/mol
Names and Synonyms:
Lactamide Mea
Lipamide LMEA
Lactic acid monoethanolamide
NSC 11062
Lactamide MEA
Incromectant LMEA
N-(β-Hydroxyethyl)lactamide
N-(β-Hydroxyethyl)-2-hydroxypropionamide
2-Hydroxy-N-(2-hydroxyethyl)propanamide
Lactamide, N-(2-hydroxyethyl)-
Propanamide, 2-hydroxy-N-(2-hydroxyethyl)-
Propanamide, 2-hydroxy-N-(2-hydroxyethyl)-, (±)-
N-(2-Hydroxyethyl)lactamide
Identifiers:
SMILES:
CC(O)C(O)=NCCO
InChI:
InChI=1S/C5H11NO3/c1-4(8)5(9)6-2-3-7/h4,7-8H,2-3H2,1H3,(H,6,9)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 133.14700000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 133.073893212 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 73.05 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.6840000000000002 | RDKit |
| molecular_mass | 133.15 g/mol | Legacy Database |
| density | 1.19 g/cm³ | Legacy Database |
| cas-canonical-smile | O=C(NCCO)C(O)C None | Legacy Database |
| cas-density | 1.1860 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H11NO3/c1-4(8)5(9)6-2-3-7/h4,7-8H,2-3H2,1H3,(H,6,9) None | Legacy Database |
| cas-inchi-key | InChIKey=RZCHTMXTKQHYDT-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Lactamide MEA None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 33.697399999999995 | RDKit |
