AC1O5JUF
(Z)-4-hydroxy-4-oxobut-2-enoate;2-(4-methyl-1,4-diazepan-1-ium-1-yl)ethyl 2-(4-chlorophenoxy)acetate
Also Known As: (4-Chlorophenoxy)acetic acid 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl ester maleate|Acetic acid, (4-chlorophenoxy)-, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl ester, (Z)-2-butenedioate (1:1)|ACETIC ACID, (4-CHLOROPHENOXY)-, 2-(HEXAHYDRO-4-METHYL-1H-1,4-DIAZEPIN-1-YL)ETHY|(Z)-4-hydroxy-4-oxobut-2-enoate; 2-(4-methyl-1,4-diazepan-1-ium-1-yl)ethyl 2-(4-chlorophenoxy)acetate
CAS: 87575-98-2
| Molecular Formula | C20H27ClN2O7 |
|---|---|
| Molecular Weight | 442.15067 g/mol |
| LogP | -1.1405 |
| Topological Polar Surface Area | 120.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.15067 |
| Monoisotopic Mass | 442.15067 |
| Heavy Atoms | 30 |
| Complexity | 693.61145 |
Chemical Identifiers
| CAS Number | 87575-98-2 |
|---|---|
| SMILES | CN1CCC[NH+](CC1)CCOC(=O)COC2=CC=C(C=C2)Cl.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
AC1O5JUF (CAS 87575-98-2), with molecular formula C20H27ClN2O7 and molecular weight 442.15067 g/mol. IUPAC: (Z)-4-hydroxy-4-oxobut-2-enoate;2-(4-methyl-1,4-diazepan-1-ium-1-yl)ethyl 2-(4-chlorophenoxy)acetate.
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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