HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 88913Generated: November 4, 2026
Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)-
3-Bis(2-chloroethyl)amino-4-methylphenyl(1-piperidinyl) ketone · Methanone, [3-[bis(2-chloroethyl)amino]-4-methylphenyl]-1-piperidinyl-
https://huagongshe.com/en/chemical/88913
Identifiers & Physical Properties
| CAS No. | 21447-87-0 |
|---|
| Molecular formula | C17H24Cl2N2O |
|---|
| Average molar mass | 343.3 g/mol |
|---|
| Monoisotopic mass | 342.1265688 g/mol |
|---|
| SMILES | Cc1ccc(C(=O)N2CCCCC2)cc1N(CCCl)CCCl |
|---|
| InChIKey | RUDUXQPKMFPBKF-UHFFFAOYSA-N |
|---|
| PubChem CID | 88913 |
|---|
| DTXSID | DTXSID80944039 |
|---|
Chemical & Physical Properties
| XLogP | 3.9 |
|---|
| Topological polar surface area | 23.6 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 2 |
|---|
| Rotatable bonds | 6 |
|---|
| Heavy atoms | 22 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 342 |
|---|
| Density | 1.2391 (rough estimate) |
|---|
| Refractive index | 1.5490 (estimate) |
|---|
| Toxicity | LD50 unr-rat: 50 mg/kg CTRRDO 62,2045,78 |
|---|
Safety & Regulations
| Toxicity | LD50 unr-rat: 50 mg/kg CTRRDO 62,2045,78 |
|---|
