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Ethyl Carbamate
CAS: 51-79-6 | C3H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51-79-6
Molecular Formula:
C3H7NO2
Molecular Weight:
89.094 g/mol
Names and Synonyms:
Ethyl Carbamate
Common Name
Ethyl aminoformate
Synonym
Pracarbamine
Synonym
Leucethane
Synonym
O-Ethylurethane
Synonym
Ethylurethane
Synonym
Urethane
Synonym
Urethan
Synonym
Ethyl carbamate
Synonym
NSC 746
Synonym
Carbamic acid, ethyl ester
Synonym
Identifiers:
SMILES:
CCOC(=N)O
InChI:
InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
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 | 89.094 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 89.047678464 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 53.31 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.5156700000000001 | RDKit |
| molecular_mass | 89.09 g/mol | Legacy Database |
| density | 0.99 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ethyl_carbamate None | Legacy Database |
| cas-boiling-point | 182-184 °C None | Legacy Database |
| cas-canonical-smile | O=C(OCC)N None | Legacy Database |
| cas-density | 0.9862 g/cm3 @ Temp: 21 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5) None | Legacy Database |
| cas-inchi-key | InChIKey=JOYRKODLDBILNP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 48-50 °C None | Legacy Database |
| cas-name | Carbamic acid, ethyl ester None | Legacy Database |
| wikipedia-name | Ethyl carbamate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.981499999999997 | RDKit |