HuagongsheHuagongshe Chemistry Print Report · For research reference only
alpha-Methylornithine
Ornithine, 2-methyl- · alpha-methylornithine · Ornithine, 2-methyl- (9CI)
Identifiers & Physical Properties
| CAS No. | 48047-94-5 |
|---|---|
| Molecular formula | C6H14N2O2 |
| Average molar mass | 146.19 g/mol |
| Monoisotopic mass | 146.10552769 g/mol |
| SMILES | CC(N)(CCCN)C(=O)O |
| InChIKey | LNDPCYHWPSQBCA-UHFFFAOYSA-N |
| PubChem CID | 2113 |
| ChEMBL | CHEMBL36743 |
| ChEBI | CHEBI:230851 |
| DTXSID | DTXSID10963990 |
Chemical & Physical Properties
| XLogP | -3.4 |
|---|---|
| Topological polar surface area | 89.3 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 127 |
| Boiling point | 303.7±32.0 °C(Predicted) |
| Density | 1.127±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 2.49±0.44(Predicted) |