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Molecule
Selenomethionine
CAS: 1464-42-2 · C5H11NO2Se
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1464-42-2
- Molecular Formula
- C5H11NO2Se
- Molecular Mass
- 196.11 g/mol
Identifiers
CAS Registry Number
1464-42-2
SMILES
C[Se]CCC(N)C(=O)O
InChI Key
RJFAYQIBOAGBLC-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
Names and Synonyms
- Selenomethionine Common Name
- Butanoic acid, 2-amino-4-(methylseleno)- Synonym
- Butyric acid, 2-amino-4-(methylselenyl)- Synonym
- 2-Amino-4-(methylseleno)butanoic acid Synonym
- 2-Amino-4-(methylselenyl)butyric acid Synonym
- Selenomethionine Synonym
- Selenium methionine Synonym
- 2-Amino-4-(methylseleno)butyric acid Synonym
- DL-Selenomethionine Synonym
- dl-Selenomethionine Synonym
- Seleno-DL-methionine Synonym
- (±)-Selenomethionine Synonym
- 2-Azaniumyl-4-methylselanylbutanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.11 g/mol | CAS Common Chemistry |
| 196.995499892 g/mol | RDKit | |
| 196.108 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 |
| 63.32 Ų | RDKit | |
| LogP | -0.040999999999999925 | RDKit |
| -0.041 | RDKit | |
| Molar Refractivity | 36.653199999999984 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 196.108 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 196.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11NO2Se.
