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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Dissociation constant

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Administrative data

Link to relevant study record(s)

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Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: peer reviewed data base
Qualifier:
no guideline available
Principles of method if other than guideline:
Method: potentiometric
GLP compliance:
not specified
Dissociating properties:
yes
No.:
#1
pKa:
10.51
Temp.:
25 °C
No.:
#2
pKa:
9.81
Temp.:
25 °C
No.:
#3
pKa:
8.31
Temp.:
25 °C
No.:
#4
pKa:
5.52
Temp.:
25 °C
Results:
pK apparent    b1        b2         b3          b4 
10.51 9.81 8.31 5.52

Temperature 25°C
Solvent H2O / various solvents
Ratio of solvents 0.1 M
Method potentiometric
Endpoint:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: accepted calculation method
Qualifier:
no guideline required
Principles of method if other than guideline:
Calculation of pKa using SPARC v4.5
GLP compliance:
no
Dissociating properties:
yes
No.:
#1
pKa:
4.87
Temp.:
25 °C
Remarks on result:
other: macroscopic pKa
No.:
#2
pKa:
7.99
Temp.:
25 °C
Remarks on result:
other: macroscopic pKa
No.:
#3
pKa:
9.88
Temp.:
25 °C
Remarks on result:
other: macroscopic pKa
No.:
#4
pKa:
10.69
Temp.:
25 °C
Remarks on result:
other: macroscopic pKa

Seven species:

1: NCCCNCCNCCCN

2: [N+1]CCCNCCNCCCN

3: [N+1]CCC[N+1]CC[N+1]CCC[N+1]

4: [N+1]CCC[N+1]CCNCCC[N+1]

5: [N+1]CCCNCC[N+1]CCCN

6: [N+1]CCCNCCNCCC[N+1]

7: NCCC[N+1]CCNCCCN

The macroscopic pKa estimates were generated from the crossing of the charge curves.

Description of key information

N,N'-Bis(3-aminopropyl)ethylendiamine shows 4 dissociation constants at 25°C: 
#1 10.51
#2 9.81
#3 8.31
#4 5.52

Key value for chemical safety assessment

Additional information

N,N'-Bis(3-aminopropyl)ethylendiamine shows 4 dissociation constants which are consistenty reported in different literature sources.

The values derived from REAXYS, a peer reviewed data base, originates from an experimental study are in the range of (5.52 - 10.69) for the substance.