AC1O5JPC
2-[3-(N-benzoyl-3-chloroanilino)propanoyloxy]ethyl-dimethylazanium;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: beta-Alanine, N-benzoyl-N-(m-chlorophenyl)-, 2-(dimethylamino)ethyl ester, maleate|N-Benzoyl-N-(m-chlorophenyl)-beta-alanine 2-(dimethylamino)ethyl ester maleate|2-[3-(N-benzoyl-3-chloroanilino)propanoyloxy]ethyl-dimethylazanium; (E)-4-hydroxy-4-oxobut-2-enoate
CAS: 79565-84-7
| Molecular Formula | C24H27ClN2O7 |
|---|---|
| Molecular Weight | 490.15067 g/mol |
| LogP | 0.4417 |
| Topological Polar Surface Area | 128.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 490.15067 |
| Monoisotopic Mass | 490.15067 |
| Heavy Atoms | 34 |
| Complexity | 977.8258 |
Chemical Identifiers
| CAS Number | 79565-84-7 |
|---|---|
| SMILES | C[NH+](C)CCOC(=O)CCN(C1=CC(=CC=C1)Cl)C(=O)C2=CC=CC=C2.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
AC1O5JPC (CAS 79565-84-7), with molecular formula C24H27ClN2O7 and molecular weight 490.15067 g/mol. IUPAC: 2-[3-(N-benzoyl-3-chloroanilino)propanoyloxy]ethyl-dimethylazanium;(E)-4-hydroxy-4-oxobut-2-enoate.
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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