AC1O5JUL
(Z)-but-2-enedioate;2-(4-propan-2-yl-1,4-diazepane-1,4-diium-1-yl)ethyl 2-(4-chlorophenoxy)acetate
Also Known As: Acetic acid, (4-chlorophenoxy)-, 2-(hexahydro-4-(1-methylethyl)-1H-1,4-diazepin-1-yl)ethyl ester, (Z)-2-butenedioate (1:1)|ACETIC ACID, (4-CHLOROPHENOXY)-, 2-(HEXAHYDRO-4-(1-METHYLETHYL)-1H-1,4-DIAZEPIN-|(Z)-but-2-enedioate; 2-(4-propan-2-yl-1,4-diazepane-1,4-diium-1-yl)ethyl 2-(4-chlorophenoxy)acetate
CAS: 87589-86-4
| Molecular Formula | C22H31ClN2O7 |
|---|---|
| Molecular Weight | 470.18198 g/mol |
| LogP | -3.1137 |
| Topological Polar Surface Area | 124.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.18198 |
| Monoisotopic Mass | 470.18198 |
| Heavy Atoms | 32 |
| Complexity | 737.1512 |
Chemical Identifiers
| CAS Number | 87589-86-4 |
|---|---|
| SMILES | CC(C)[NH+]1CCC[NH+](CC1)CCOC(=O)COC2=CC=C(C=C2)Cl.C(=C\C(=O)[O-])\C(=O)[O-] |
Product Overview
AC1O5JUL (CAS 87589-86-4), with molecular formula C22H31ClN2O7 and molecular weight 470.18198 g/mol. IUPAC: (Z)-but-2-enedioate;2-(4-propan-2-yl-1,4-diazepane-1,4-diium-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 →
AC1O5JUL is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »