NSC81836
2-[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile
Also Known As: 2-[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile|2,2'-(2-{4-[Bis(2-chloroethyl)amino]-2-methylphenyl}-1,3-diazinane-1,3-diyl)bis(phenylacetonitrile)
CAS: 2164-75-2
| Molecular Formula | C31H33Cl2N5 |
|---|---|
| Molecular Weight | 545.2113 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 57.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 545.2113 |
| Monoisotopic Mass | 545.2113 |
| Heavy Atoms | 38 |
| Complexity | 756.0 |
Chemical Identifiers
| CAS Number | 2164-75-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCCl)CCCl)C2N(CCCN2C(C#N)C3=CC=CC=C3)C(C#N)C4=CC=CC=C4 |
| InChIKey | YUBSCHYDADXENF-UHFFFAOYSA-N |
Product Overview
NSC81836 (CAS 2164-75-2), with molecular formula C31H33Cl2N5 and molecular weight 545.2113 g/mol. IUPAC: 2-[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[cyano(phenyl)methyl]-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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