Back to Search
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 Weight:
151.071 g/mol
Names and Synonyms:
N,N-Dimethylselenourea
NSC 174190
1,1-Dimethylselenourea
1,1-Dimethyl-2-selenourea
N,N-Dimethylselenourea
Urea, 1,1-dimethyl-2-seleno-
Selenourea, N,N-dimethyl-
Identifiers:
SMILES:
CN(C)C(=N)[SeH]
InChI:
InChI=1S/C3H8N2Se/c1-5(2)3(4)6/h1-2H3,(H2,4,6)
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 151.07 g/mol | Legacy Database |
| cas-canonical-smile | [Se]=C(N)N(C)C | Legacy Database | |
| cas-inchi | InChI=1S/C3H8N2Se/c1-5(2)3(4)6/h1-2H3,(H2,4,6) | Legacy Database | |
| cas-inchi-key | InChIKey=NRTHBQJARHPPAU-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 100-101 °C | Legacy Database | |
| cas-name | N,N-Dimethylselenourea | Legacy Database | |
| LogP | -0.6164300000000001 | RDKit | |
| Molecular | Molecular Weight | 151.071 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.985269556 g/mol | RDKit |
| Heavy | Heavy Atom Count | 6 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 27.090000000000003 Ų | RDKit |
| Molar | Molar Refractivity | 28.562699999999992 | RDKit |
