4-chloro-N-methylpiperidine

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

25-03-2017 - 25-03-2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

Data is from experimental study performed using standard OECD Guideline.

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Principles of method if other than guideline:

The partition Coefficient n-octanol/water of 4-chloro-N-methylpiperidine(CAS No.5570-77-4) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals.

GLP compliance:

not specified

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

- Name of test material: 4-chloro-1-methylpiperidine
- Molecular formula: C6H12ClN
- Molecular weight: 133.621 g/mol
- Smiles notation: N1(CCC(CC1)Cl)C
- InChl: 1S/C6H12ClN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
- Substance type: Organic
- Physical state: Liquid

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

1.318

Temp.:

25 °C

pH:

8.418

Remarks on result:

other: Other details not known

Test substance 4-chloro-N-methylpiperidine		K	LogK	Log Koc by Generalized Calibration Graph	Mean of Log Koc ± S.D.
tR1	1.163	0.2368	-0.6255	1.3411	1.318 ± 0.0327
tR2	1.154	0.2273	-0.6435	1.2949

Conclusions:

The partition coefficient(n-octanol/water) of test substance 4-chloro-N-methylpiperidine (CAS No. 5570-77-4)was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 1.318 ± 0.0327 at 25°C.

Executive summary:

The partition Coefficient n-octanol/water of 4-chloro-N-methylpiperidine (CAS No.5570-77-4) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 1.318 ± 0.0327 at 25°C.

Description of key information

The partition Coefficient n-octanol/water of 4-chloro-N-methylpiperidine (CAS No.5570-77-4) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 1.318 ± 0.0327 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):

1.318

at the temperature of:

25 °C

Additional information

The partition Coefficient n-octanol/water of 4-chloro-N-methylpiperidine (CAS No.5570-77-4) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 1.318 ± 0.0327 at 25°C.