3,3'-Hexamethylenebis(1,1-dibenzylurea)
1,1-dibenzyl-3-[6-(dibenzylcarbamoylamino)hexyl]urea
Also Known As: 3,3'-HEXAMETHYLENEBIS(1,1-DIBENZYLUREA)|1,1-dibenzyl-3-[6-(dibenzylcarbamoylamino)hexyl]urea|N',N''-Hexane-1,6-diylbis(N,N-dibenzylurea)|3,3-DIBENZYL-1-{6-[(DIBENZYLCARBAMOYL)AMINO]HEXYL}UREA|[bisbenzylamino]-N-(6-{[bisbenzylamino]carbonylamino}hexyl)carboxamide|667-422-0
CAS: 42101-55-3
| Molecular Formula | C36H42N4O2 |
|---|---|
| Molecular Weight | 562.33075 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 562.33075 |
| Monoisotopic Mass | 562.33075 |
| Heavy Atoms | 42 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 42101-55-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)NCCCCCCNC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4 |
| InChIKey | BCIPPOQLFGYUQQ-UHFFFAOYSA-N |
Product Overview
3,3'-Hexamethylenebis(1,1-dibenzylurea) (CAS 42101-55-3), with molecular formula C36H42N4O2 and molecular weight 562.33075 g/mol. IUPAC: 1,1-dibenzyl-3-[6-(dibenzylcarbamoylamino)hexyl]urea.
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.
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