Ts-72
4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]benzoic acid
Also Known As: Ts 72|Ts-72|Ts72|C 72|N-(p-Di(2-chloroethyl)aminophenylbutyryl)-p-aminobenzoic acid|4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]benzoic acid|4-(4-{4-[bis(2-chloroethyl)amino]phenyl}butanamido)benzoic acid|4-[[4-[4-[Bis(2-chloroethyl)amino]phenyl]-1-oxobutyl]amino]benzoic acid
CAS: 80497-41-2
| Molecular Formula | C21H24Cl2N2O3 |
|---|---|
| Molecular Weight | 422.1164 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 422.1164 |
| Monoisotopic Mass | 422.1164 |
| Heavy Atoms | 28 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 80497-41-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCC(=O)NC2=CC=C(C=C2)C(=O)O)N(CCCl)CCCl |
| InChIKey | YUBXXCXMEWHANB-UHFFFAOYSA-N |
Product Overview
Ts-72 (CAS 80497-41-2), with molecular formula C21H24Cl2N2O3 and molecular weight 422.1164 g/mol. IUPAC: 4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]benzoic acid.
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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