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Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Study period:
15.06.2012 - 04.07.2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
test procedure in accordance with generally accepted scientific standards and described in sufficient detail
Justification for type of information:
Data is from experimental study report
Qualifier:
according to
Guideline:
other: as mentioned below
Principles of method if other than guideline:
Measurement of capacity of a compound to dissociate into respective ions.
GLP compliance:
no
Other quality assurance:
ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
Specific details on test material used for the study:
- Name of test material: 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol
- Molecular formula: C24H29N3O
- Molecular weight: 375.513
- Smiles: C(c1ccc(cc1)N(C)C)(c1ccc(cc1)N(C)C)(c1ccc (cc1)NC)O
-Inchi: 1S/C24H29N3O/c1-25-21-12-6-18(7-13-21)24 (28, 19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4) 5/h6-17,25,28H,1-5H3

- Substance type: Organic
- Physical state: solid
Dissociating properties:
yes
No.:
#1
pKa:
0
Temp.:
30 °C
Remarks on result:
other: 0.0000000000000287 = 0.287E-13
No.:
#2
pKa:
0
Temp.:
30 °C
Remarks on result:
other: 0.0000000000000284 = 0.284E-13
No.:
#3
pKa:
0
Temp.:
30 °C
Remarks on result:
other: 0.0000000000000286 = 0.286E-13
Conclusions:
The experimental pKa value for 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol was found to be 0.0000000000000285667 (average pKa value) at 30 deg C indicating that the chemical has dissociation properties.
Executive summary:

The experimental pKa value for 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol was found to be 0.0000000000000285667 (average pKa value) at 30 deg C indicating that the chemical has dissociation properties.

Description of key information

The experimental pKa value for 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol was found to be 0.0000000000000285667 (average pKa value) at 30 deg C indicating that the chemical has dissociation properties. This value at 20 deg C is equivalent to 0.000000000000019044467

Key value for chemical safety assessment

pKa at 20°C:
0

Additional information

The experimental pKa value for 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol was found to be 0.0000000000000285667 (average pKa value) at 30 deg C indicating that the chemical has dissociation properties.This value at 20 deg C is equivalent to 0.000000000000019044467