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:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically accepted calculation method

Data source

Reference
Reference Type:
other: model calculation
Title:
N,N-Dimethyladamantylamine
Author:
BASF SE
Year:
2011
Bibliographic source:
Sparc On-Line Calculator v4.5, 2011-03-21

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
model calculation using Sparc On-Line Calculator v4.5
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
N,N-dimethyladamantan-1-amine
EC Number:
609-335-2
Cas Number:
3717-40-6
Molecular formula:
C12 H21 N
IUPAC Name:
N,N-dimethyladamantan-1-amine
Details on test material:
Name of test material (as cited in study report): Adamantyldimethyldiamin
Analytical purity: not specified

Results and discussion

Dissociating properties:
yes
Dissociation constant
No.:
#1
pKa:
10.05
Temp.:
25 °C
Remarks on result:
other: calculated

Applicant's summary and conclusion