4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid
4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid
Also Known As: 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile,|4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile; ethanesulfonic acid|4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid|Ethanesulfonic acid--4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzonitrile (1/1)
| Molecular Formula | C14H20N6O3S |
|---|---|
| Molecular Weight | 352.13177 g/mol |
| LogP | 0.63788 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.13177 |
| Monoisotopic Mass | 352.13177 |
| Heavy Atoms | 24 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 4576-39-0 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)C#N)N)N)C |
| InChIKey | VGALFRRJBGMYJI-UHFFFAOYSA-N |
Product Overview
4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid (CAS 4576-39-0), with molecular formula C14H20N6O3S and molecular weight 352.13177 g/mol. IUPAC: 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid.
4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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