![N'-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-(2-chloroethyl)-N-nitrosourea structure](/static/products/7711/77113-53-2.webp)
N'-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-(2-chloroethyl)-N-nitrosourea
3-(1,3-benzodioxol-5-ylmethyl)-1-(2-chloroethyl)-1-nitrosourea
Also Known As: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-chloroethyl)-1-nitrosourea|N'-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-(2-chloroethyl)-N-nitrosourea|1-(2-chloroethyl)-1-nitroso-3-(3,4-methylenedioxybenzyl) urea
CAS: 77113-53-2
| Molecular Formula | C11H12ClN3O4 |
|---|---|
| Molecular Weight | 285.05164 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.05164 |
| Monoisotopic Mass | 285.05164 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 77113-53-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)N(CCCl)N=O |
| InChIKey | ZOXRWVMBXBSCOM-UHFFFAOYSA-N |
Product Overview
N'-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-(2-chloroethyl)-N-nitrosourea (CAS 77113-53-2), with molecular formula C11H12ClN3O4 and molecular weight 285.05164 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-chloroethyl)-1-nitrosourea.
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 →
N'-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-(2-chloroethyl)-N-nitrosourea is a custom synthesis product. We offer services from milligram to kilogram scale.
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