Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: QSAR estimate. A more precise value is not useful due to clear hydrophily. Quoted by several peer-reviewed sources.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR model
Title:
No information
Year:
2010
Bibliographic source:
EPI Suite - module WsKow

Materials and methods

Principles of method if other than guideline:
QSAR: EPI Suite's WsKow module was used with following input:
- SMILES = N(C)(C)N
- MP = -58°C
GLP compliance:
no
Type of method:
other: QSAR
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-1.19
Remarks on result:
other: temperature and pH not applicable (QSAR)

Applicant's summary and conclusion

Conclusions:
Log Kow = -1.19
Executive summary:

Using EPI Suite's WsKow module, the log Kow was estimated to be -1.19. This result has been quoted by peer-reviewed secondary sources like ChemIDPlus, HSDB, National Toxicology program.