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Molecule
Enu
CAS: 759-73-9 · C3H7N3O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 759-73-9
- Molecular Formula
- C3H7N3O2
- Molecular Mass
- 117.11 g/mol
Identifiers
CAS Registry Number
759-73-9
SMILES
CCN(N=O)C(=N)O
InChI Key
FUSGACRLAFQQRL-UHFFFAOYSA-N
InChI
InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)
Names and Synonyms
- Enu Common Name
- Urea, N-ethyl-N-nitroso- Synonym
- Urea, 1-ethyl-1-nitroso- Synonym
- N-Ethyl-N-nitrosourea Synonym
- N-Nitroso-N-ethylurea Synonym
- 1-Ethyl-1-nitrosourea Synonym
- NSC 45403 Synonym
- ENU Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 117.11 g/mol | CAS Common Chemistry |
| 117.10799999999998 g/mol | RDKit | |
| 117.108 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/ENU | CAS Common Chemistry |
| Canonical SMILES | O=NN(C(=O)N)CC | CAS Common Chemistry |
| InChI | InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7) | CAS Common Chemistry |
| InChI Key | InChIKey=FUSGACRLAFQQRL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 103-104 °C (decomp) | CAS Common Chemistry |
| Name | N-Ethyl-N-nitrosourea | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 76.75 Ų | RDKit |
| LogP | 0.48246999999999995 | RDKit |
| 0.4825 | RDKit | |
| Molar Refractivity | 28.530499999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 117.053826464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 117.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7N3O2.
