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Carbamic Acid, N-Methyl-N-Nitroso-, Ethyl Ester
CAS: 615-53-2 | C4H8N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
615-53-2
Molecular Formula:
C4H8N2O3
Molecular Mass:
132.12 g/mol
Names and Synonyms:
Carbamic Acid, N-Methyl-N-Nitroso-, Ethyl Ester
Carbamic acid, N-methyl-N-nitroso-, ethyl ester
Carbamic acid, methylnitroso-, ethyl ester
N-Methyl-N-nitrosourethane
Nitrosomethylurethane
Methylnitrosourethane
N-Nitroso-N-methylurethane
NSC 2860
Ethyl N-methylnitrosocarbamate
NMU
Ethyl N-methyl-N-nitrosocarbamate
Identifiers:
SMILES:
CCOC(=O)N(C)N=O
InChI:
InChI=1S/C4H8N2O3/c1-3-9-4(7)6(2)5-8/h3H2,1-2H3
Key Properties
Boiling Point
70 °C @ Press: 27 Torr
CAS Common Chemistry
Density
1.13 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 | 132.12 g/mol | CAS Common Chemistry |
| 132.119 g/mol | RDKit | |
| 132.053492116 g/mol | RDKit | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.133 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 70 °C @ Press: 27 Torr | CAS Common Chemistry |
| Canonical SMILES | O=NN(C(=O)OCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H8N2O3/c1-3-9-4(7)6(2)5-8/h3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CAUBWLYZCDDYEF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Carbamic acid, N-methyl-N-nitroso-, ethyl ester | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.97 Ų | RDKit |
| LogP | 0.7561 | RDKit |
| Molar Refractivity | 30.57999999999999 | RDKit |
