Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
partition coefficient
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: Recognised method of calculation.

Data source

Reference
Reference Type:
other: EPIWIN Suite software
Title:
Unnamed
Report date:
2010

Materials and methods

Test guideline
Qualifier:
no guideline followed
Deviations:
no
Principles of method if other than guideline:
Calculation based on structure.
Type of method:
other: Calculation

Test material

Constituent 1
Chemical structure
Reference substance name:
Trimethyl-3-[(1-oxoallyl)amino]propylammonium chloride
EC Number:
256-181-3
EC Name:
Trimethyl-3-[(1-oxoallyl)amino]propylammonium chloride
Cas Number:
45021-77-0
Molecular formula:
C9H19N2O.Cl
IUPAC Name:
trimethyl-3-[(1-oxoallyl)amino]propylammonium chloride

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-3.1
Temp.:
20 °C
pH:
7

Applicant's summary and conclusion

Conclusions:
The log Pow for APTAC is estimated to be -3.12 using KOWWIN, version 1.62