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Carbamic Acid, N-Methyl-, Ethyl Ester
CAS: 105-40-8 | C4H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
105-40-8
Molecular Formula:
C4H9NO2
Molecular Mass:
103.12 g/mol
Names and Synonyms:
Carbamic Acid, N-Methyl-, Ethyl Ester
Carbamic acid, N-methyl-, ethyl ester
Carbamic acid, methyl-, ethyl ester
Ethyl N-methylcarbamate
N-Methylurethan
Methylurethane
Ethyl methylcarbamate
N-Methylurethane
NSC 8836
Identifiers:
SMILES:
CCOC(O)=NC
InChI:
InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)
Key Properties
Boiling Point
170 °C @ Press: 760 Torr
CAS Common Chemistry
Density
1.01 g/cm³
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 | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.0115 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 170 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)NC | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=SURZCVYFPAXNGN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Carbamic acid, N-methyl-, ethyl ester | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 41.82 Ų | RDKit |
| LogP | 0.5667 | RDKit |
| Molar Refractivity | 27.613799999999987 | RDKit |
