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Enu
CAS: 759-73-9 | C3H7N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
759-73-9
Molecular Formula:
C3H7N3O2
Molecular Mass:
117.11 g/mol
Names and Synonyms:
Enu
Urea, N-ethyl-N-nitroso-
Urea, 1-ethyl-1-nitroso-
N-Ethyl-N-nitrosourea
N-Nitroso-N-ethylurea
1-Ethyl-1-nitrosourea
NSC 45403
ENU
Identifiers:
SMILES:
CCN(N=O)C(=N)O
InChI:
InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)
Key Properties
Melting Point
103-104 °C (decomp)
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 | 117.11 g/mol | CAS Common Chemistry |
| 117.10799999999998 g/mol | RDKit | |
| 117.053826464 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 |
| ENU | 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 |
| Molar Refractivity | 28.530499999999993 | RDKit |
