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EC number: 226-375-2 | CAS number: 5382-23-0
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Data is from modelling databases.
- Qualifier:
- according to guideline
- Guideline:
- other: Refer principle below
- Principles of method if other than guideline:
- To estimate octanol water partition Coefficient of test chemical 4-chloro-1-methylpiperidinium chloride.
- GLP compliance:
- not specified
- Type of method:
- other: estimated
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name of test material: 4-chloro-1-methylpiperidinium chloride
- IUPAC name: 4-chloro-1-methylpiperidin-1-ium chloride
- Molecular formula: C6H13Cl2N
- Molecular weight: 170.0817 g/mole
- Smiles : CN1CCC(CC1)Cl.Cl
- Inchl: 1S/C6H12ClN.ClH/c1-8-4-2-6(7)3-5-8;/h6H,2-5H2,1H3;1H
- Substance type: Organic
- Physical state: Solid crystal powder (White - Slightly pale yellow) - Key result
- Type:
- log Pow
- Partition coefficient:
- 1.58
- Temp.:
- 25 °C
- Remarks on result:
- other: other details are not available
- Conclusions:
- KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 4-chloro-1-methylpiperidinium chloride. The estimated Log Pow is 1.58. This partition coefficient value indicate that the test substance hydrophilic in nature.
- Executive summary:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 4-chloro-1-methylpiperidinium chloride. The estimated Log Pow is 1.58. This partition coefficient value indicate that the test chemical 4-chloro-1-methylpiperidinium chloride is hydrophilic in nature.
Reference
Description of key information
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 4-chloro-1-methylpiperidinium chloride. The estimated Log Pow is 1.58. This partition coefficient value indicate that the test chemical 4-chloro-1-methylpiperidinium chloride is hydrophilic in nature.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.58
- at the temperature of:
- 25 °C
Additional information
KOWWIN V1.68 of Estimation program Interface ( EPI 2017) and Danish QSAR was used to estimate the octanol water partition coefficient of the test substance 4-chloro-1-methylpiperidinium chloride. The estimated Log Pow is 1.58. This partition coefficient value indicate that 4-chloro-1-methylpiperidinium chloride is hydrophilic in nature.
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