Registration Dossier
Registration Dossier
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EC number: 602-891-7 | CAS number: 122731-59-3
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 995
- Report date:
- 1995
Materials and methods
Test material
- Reference substance name:
- rac-5-Amino-N-(2,3-diacetoxypropyl)-2,4,6-triiodoisophthalamic acid
- EC Number:
- 602-891-7
- Cas Number:
- 122731-59-3
- Molecular formula:
- C15 H15 I3 N2 O7
- IUPAC Name:
- rac-5-Amino-N-(2,3-diacetoxypropyl)-2,4,6-triiodoisophthalamic acid
Constituent 1
Results and discussion
Dissociation constant
- No.:
- #1
- pKa:
- 1
- Remarks on result:
- other: calculation (Hammett equation)
Applicant's summary and conclusion
- Executive summary:
From the published acid dissociation constants of benzoic acid (I. Cadariu, et al. Z. Phys. Chem. (Leipzig) 242, 391, 1969) the following pKa value of ZK 91 248 was estimated using the Hammett equation ( D.D. Perrin, B. Dempsey, E.P. Serjeant; pKa predicition for organic acids and bases, Chapman and Hall, 1981):
pKa = 1.0
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