NSC81539
2-[3-[cyano(phenyl)methyl]-2-(2-methoxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile
Also Known As: 2-[3-[cyano(phenyl)methyl]-2-(2-methoxyphenyl)-1,3-diazinan-|2-[3-[cyano(phenyl)methyl]-2-(2-methoxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile|2,2'-[2-(2-Methoxyphenyl)-1,3-diazinane-1,3-diyl]bis(phenylacetonitrile)
CAS: 2164-69-4
| Molecular Formula | C27H26N4O |
|---|---|
| Molecular Weight | 422.21066 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.21066 |
| Monoisotopic Mass | 422.21066 |
| Heavy Atoms | 32 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 2164-69-4 |
|---|---|
| SMILES | COC1=CC=CC=C1C2N(CCCN2C(C#N)C3=CC=CC=C3)C(C#N)C4=CC=CC=C4 |
| InChIKey | BQOFUVSLYKFONO-UHFFFAOYSA-N |
Product Overview
NSC81539 (CAS 2164-69-4), with molecular formula C27H26N4O and molecular weight 422.21066 g/mol. IUPAC: 2-[3-[cyano(phenyl)methyl]-2-(2-methoxyphenyl)-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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