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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 Mass:
123.02 g/mol
Names and Synonyms:
Selenourea
Selenourea
Urea, seleno-
Carbamimidoselenoic acid
2-Selenourea
Selenouronium
Isoselenourea
NSC 227840
Identifiers:
SMILES:
N=C(N)[SeH]
InChI:
InChI=1S/CH4N2Se/c2-1(3)4/h(H4,2,3,4)
Key Properties
Melting Point
200 °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 | 123.02 g/mol | CAS Common Chemistry |
| 123.01699999999998 g/mol | RDKit | |
| 123.953969428 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Selenourea | CAS Common Chemistry |
| Canonical SMILES | [Se]=C(N)N | CAS Common Chemistry |
| InChI | InChI=1S/CH4N2Se/c2-1(3)4/h(H4,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=IYKVLICPFCEZOF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 200 °C (decomp) | CAS Common Chemistry |
| Name | Selenourea | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.870000000000005 Ų | RDKit |
| LogP | -1.21933 | RDKit |
| Molar Refractivity | 19.063100000000002 | RDKit |
