3-Pyridylalanine
[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide;sulfuric acid
Also Known As: 3-Pyridylalanine|Cyanamide (4,6-bis((1-methylethylamino)-1,3,5-triazin-2-yl)methyl-, sulfate (1:1)|[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide; sulfuric acid|Sulfuric acid--{4,6-bis[(propan-2-yl)amino]-1,3,5-triazin-2-yl}(methyl)cyanamide (1/1)
CAS: 76472-91-8
| Molecular Formula | C11H21N7O4S |
|---|---|
| Molecular Weight | 347.13757 g/mol |
| LogP | 0.77668 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.13757 |
| Monoisotopic Mass | 347.13757 |
| Heavy Atoms | 23 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 76472-91-8 |
|---|---|
| SMILES | CC(C)NC1=NC(=NC(=N1)N(C)C#N)NC(C)C.OS(=O)(=O)O |
| InChIKey | SWEZYJDYODQJSN-UHFFFAOYSA-N |
Product Overview
3-Pyridylalanine (CAS 76472-91-8), with molecular formula C11H21N7O4S and molecular weight 347.13757 g/mol. IUPAC: [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide;sulfuric acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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