Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data

Data source

Reference
Title:
SciFinder Database
Year:
2017
Bibliographic source:
ACD/Labs Predected Data

Materials and methods

Principles of method if other than guideline:
database entry, predicted data

Test material

1
Chemical structure
Reference substance name:
1,3-dihydro-5,6-diamino-2H-benzimidazol-2-one
EC Number:
259-728-4
EC Name:
1,3-dihydro-5,6-diamino-2H-benzimidazol-2-one
Cas Number:
55621-49-3
Molecular formula:
C7H8N4O
IUPAC Name:
5,6-diamino-1,3-dihydro-2H-benzimidazol-2-one

Results and discussion

Dissociating properties:
yes
Dissociation constantopen allclose all
pKa:
>= 10.81 - <= 11.41
Temp.:
25 °C
Remarks on result:
other:
Remarks:
most acidic
pKa:
>= 5.28 - <= 5.68
Temp.:
25 °C
Remarks on result:
other: most basic
Remarks:
most basic

Applicant's summary and conclusion