Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: scientifically acceptable method

Data source

Reference
Reference Type:
other: calculation
Title:
Isoquinoline
Author:
BASF SE
Year:
2010
Bibliographic source:
BASF SE Department of Product Safety, unpublished calculation, SPARC v.4.5, 2010-12-13

Materials and methods

Test guideline
Guideline:
other: calculation
Principles of method if other than guideline:
calculation with SPARC v4.5 program
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Isoquinoline
EC Number:
204-341-8
EC Name:
Isoquinoline
Cas Number:
119-65-3
Molecular formula:
C9H7N
IUPAC Name:
isoquinoline

Results and discussion

Dissociating properties:
yes
Dissociation constant
No.:
#1
pKa:
5.19
Temp.:
25 °C

Applicant's summary and conclusion