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Molecule
Ethyl Carbamate
CAS: 51-79-6 · C3H7NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 51-79-6
- Molecular Formula
- C3H7NO2
- Molecular Mass
- 89.09 g/mol
Identifiers
CAS Registry Number
51-79-6
SMILES
CCOC(=N)O
InChI Key
JOYRKODLDBILNP-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
Names and Synonyms
- Ethyl Carbamate Common Name
- Carbamic acid, ethyl ester Synonym
- NSC 746 Synonym
- Ethyl carbamate Synonym
- Urethan Synonym
- Urethane Synonym
- Ethylurethane Synonym
- O-Ethylurethane Synonym
- Leucethane Synonym
- Pracarbamine Synonym
- Ethyl aminoformate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 89.09 g/mol | CAS Common Chemistry |
| 89.094 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9862 g/cm3 @ 21 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethyl_carbamate | CAS Common Chemistry |
| Boiling Point | 182-184 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)N | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=JOYRKODLDBILNP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 48-50 °C | CAS Common Chemistry |
| Name | Carbamic acid, ethyl ester | CAS Common Chemistry |
| Ethyl carbamate | 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 | 53.31 Ų | RDKit |
| LogP | 0.5156700000000001 | RDKit |
| 0.5157 | RDKit | |
| Molar Refractivity | 21.981499999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 89.047678464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 89.09 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7NO2.
