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Selenomethionine
CAS: 1464-42-2 | C5H11NO2Se
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1464-42-2
Molecular Formula:
C5H11NO2Se
Molecular Mass:
196.11 g/mol
Names and Synonyms:
Selenomethionine
Butanoic acid, 2-amino-4-(methylseleno)-
Butyric acid, 2-amino-4-(methylselenyl)-
2-Amino-4-(methylseleno)butanoic acid
2-Amino-4-(methylselenyl)butyric acid
Selenomethionine
Selenium methionine
2-Amino-4-(methylseleno)butyric acid
DL-Selenomethionine
dl-Selenomethionine
Seleno-DL-methionine
(±)-Selenomethionine
2-Azaniumyl-4-methylselanylbutanoate
Identifiers:
SMILES:
C[Se]CCC(N)C(=O)O
InChI:
InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
Key Properties
Melting Point
265 °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 | 196.11 g/mol | CAS Common Chemistry |
| 196.108 g/mol | RDKit | |
| 196.995499892 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CC[Se]C | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=RJFAYQIBOAGBLC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 265 °C (decomp) | CAS Common Chemistry |
| Name | Selenomethionine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | -0.040999999999999925 | RDKit |
| Molar Refractivity | 36.653199999999984 | RDKit |
