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Selenourea
CAS: 630-10-4 | CH4N2Se
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
630-10-4
Molecular Formula:
CH4N2Se
Molecular Weight:
123.01699999999998 g/mol
Names and Synonyms:
Selenourea
NSC 227840
Isoselenourea
Selenouronium
2-Selenourea
Carbamimidoselenoic acid
Urea, seleno-
Selenourea
Identifiers:
SMILES:
N=C(N)[SeH]
InChI:
InChI=1S/CH4N2Se/c2-1(3)4/h(H4,2,3,4)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 123.01699999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 123.953969428 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 49.870000000000005 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.21933 | RDKit |
| molecular_mass | 123.02 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Selenourea None | Legacy Database |
| cas-canonical-smile | [Se]=C(N)N None | Legacy Database |
| cas-inchi | InChI=1S/CH4N2Se/c2-1(3)4/h(H4,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=IYKVLICPFCEZOF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 200 °C (decomp) None | Legacy Database |
| cas-name | Selenourea None | Legacy Database |
| wikipedia-name | Selenourea None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.063100000000002 | RDKit |
