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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

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