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Molecule
Carbamic Acid, N-Methyl-N-Nitroso-, Ethyl Ester
CAS: 615-53-2 · C4H8N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 615-53-2
- Molecular Formula
- C4H8N2O3
- Molecular Mass
- 132.12 g/mol
Identifiers
CAS Registry Number
615-53-2
SMILES
CCOC(=O)N(C)N=O
InChI Key
CAUBWLYZCDDYEF-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2O3/c1-3-9-4(7)6(2)5-8/h3H2,1-2H3
Names and Synonyms
- Carbamic Acid, N-Methyl-N-Nitroso-, Ethyl Ester Systematic Name
- Carbamic acid, N-methyl-N-nitroso-, ethyl ester Synonym
- Carbamic acid, methylnitroso-, ethyl ester Synonym
- N-Methyl-N-nitrosourethane Synonym
- Nitrosomethylurethane Synonym
- Methylnitrosourethane Synonym
- N-Nitroso-N-methylurethane Synonym
- NSC 2860 Synonym
- Ethyl N-methylnitrosocarbamate Synonym
- NMU Synonym
- Ethyl N-methyl-N-nitrosocarbamate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.12 g/mol | CAS Common Chemistry |
| 132.119 g/mol | RDKit | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.133 g/cm3 @ 20 °C | 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 |
| 58.74 Ų | chempirical lib | |
| LogP | 0.7561 | RDKit |
| Molar Refractivity | 30.57999999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 132.053492116 g/mol | RDKit |
| Boiling Point | 70 °C @ 27 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 132.12 g/mol; density = 1.130 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8N2O3.
