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N,N-Dimethylselenourea
CAS: 5117-16-8 | C3H8N2Se
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5117-16-8
Molecular Formula:
C3H8N2Se
Molecular Mass:
151.07 g/mol
Names and Synonyms:
N,N-Dimethylselenourea
Selenourea, N,N-dimethyl-
Urea, 1,1-dimethyl-2-seleno-
N,N-Dimethylselenourea
1,1-Dimethyl-2-selenourea
1,1-Dimethylselenourea
NSC 174190
Identifiers:
SMILES:
CN(C)C(=N)[SeH]
InChI:
InChI=1S/C3H8N2Se/c1-5(2)3(4)6/h1-2H3,(H2,4,6)
Key Properties
Melting Point
100-101 °C
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 | 151.07 g/mol | CAS Common Chemistry |
| 151.071 g/mol | RDKit | |
| 151.985269556 g/mol | RDKit | |
| Canonical SMILES | [Se]=C(N)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H8N2Se/c1-5(2)3(4)6/h1-2H3,(H2,4,6) | CAS Common Chemistry |
| InChI Key | InChIKey=NRTHBQJARHPPAU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 100-101 °C | CAS Common Chemistry |
| Name | N,N-Dimethylselenourea | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.090000000000003 Ų | RDKit |
| LogP | -0.6164300000000001 | RDKit |
| Molar Refractivity | 28.562699999999992 | RDKit |
