Registration Dossier
Registration Dossier
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EC number: 618-311-0 | CAS number: 898543-06-1
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- other information
- Study period:
- Jan 2007
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Guideline:
- other: Calculation method (ACD/pKa v 7.0)
- Deviations:
- not specified
- GLP compliance:
- no
- Dissociating properties:
- yes
- pKa:
- 8.96
- Remarks on result:
- other: first protonation
- Conclusions:
- 3-Morpholinone, 4-[4-[(5S)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-, hydrochloride is a base (calculated pKa for first protonation is 8.96).
- Executive summary:
The test item is a base. The pKa of 8.96 for the first protonation was calculated with the ACD/pKa programm, vers 7.0.
Reference
The test item is an amino hydrochloride, the non ionic form is the free amine, which is a base.
Description of key information
3-Morpholinone, 4-[4-[(5S)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-, hydrochloride is a base (calculated pKa for first protonation is 8.96).
Key value for chemical safety assessment
- pKa at 20°C:
- 8.96
Additional information
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