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EC number: 233-634-3 | CAS number: 10287-53-3
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- Not specified
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The dissociation constant (pKa) of ethyl 4-(dimethylamino)benzoate was estimated using the pKalc function of the PALLAS estimation software program (CompuDrug, version 3.6.2.1).
- GLP compliance:
- no
- Remarks:
- No laboratory work was performed in this study. GLP is therefore not required.
- Dissociating properties:
- not determined
- pKa:
- 2.72
- Remarks on result:
- other: PALLAS pKa prediction of basic group
- Conclusions:
- The PALLAS pKa prediction demonstrates that the test material possesses a basic group pKa of 2.72.
- Executive summary:
The dissociation constant (pKa) of the test material was estimated using the pKalc function of the PALLAS estimation software program (CompuDrug, version 3.6.2.1).
The PALLAS pKa prediction demonstrates that the test material possesses a basic group pKa of 2.72.
Reference
The PALLAS pKa prediction demonstrates that the test material possesses a basic group pKa of 2.72.
Description of key information
The PALLAS pKa prediction demonstrates that the test material possesses a basic group pKa of 2.72.
Key value for chemical safety assessment
- pKa at 20°C:
- 2.72
Additional information
The dissociation constant (pKa) of the test material was estimated using the pKalc function of the PALLAS estimation software program (CompuDrug, version 3.6.2.1).
The PALLAS pKa prediction demonstrates that the test material possesses a basic group pKa of 2.72.
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