NSC81540
2-[3-[cyano(phenyl)methyl]-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile
Also Known As: 2-[3-(cyano-phenyl-methyl)-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]-2-phenyl-acetonitrile|2-[3-[cyano(phenyl)methyl]-2-(2-hydroxyphenyl)-1,3-diazinan-|2,2'-[2-(2-Hydroxyphenyl)-1,3-diazinane-1,3-diyl]bis(phenylacetonitrile)|2-[3-[cyano(phenyl)methyl]-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile
CAS: 2164-70-7
| Molecular Formula | C26H24N4O |
|---|---|
| Molecular Weight | 408.195 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.195 |
| Monoisotopic Mass | 408.195 |
| Heavy Atoms | 31 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 2164-70-7 |
|---|---|
| SMILES | C1CN(C(N(C1)C(C#N)C2=CC=CC=C2)C3=CC=CC=C3O)C(C#N)C4=CC=CC=C4 |
| InChIKey | URGZWCGWLFKZMA-UHFFFAOYSA-N |
Product Overview
NSC81540 (CAS 2164-70-7), with molecular formula C26H24N4O and molecular weight 408.195 g/mol. IUPAC: 2-[3-[cyano(phenyl)methyl]-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile.
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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