Benzenebutanoic acid, butyl ester
butyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Also Known As: Benzenebutanoic acid, butyl ester|butyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate|Butyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
CAS: 77063-17-3
| Molecular Formula | C18H27Cl2NO2 |
|---|---|
| Molecular Weight | 359.14188 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 359.14188 |
| Monoisotopic Mass | 359.14188 |
| Heavy Atoms | 23 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 77063-17-3 |
|---|---|
| SMILES | CCCCOC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | NDKJFNYAHPWZHB-UHFFFAOYSA-N |
Product Overview
Benzenebutanoic acid, butyl ester (CAS 77063-17-3), with molecular formula C18H27Cl2NO2 and molecular weight 359.14188 g/mol. IUPAC: butyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate.
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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