1-benzyl-N-phenylpiperidin-4-amine

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

31 May 2016 - 14 September 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7200 (Melting Point / Melting Range)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

1-benzyl-N-phenylpiperidin-4-amine

EC Number:

214-583-6

EC Name:

1-benzyl-N-phenylpiperidin-4-amine

Cas Number:

1155-56-2

Molecular formula:

C18H22N2

IUPAC Name:

1-benzyl-N-phenylpiperidin-4-amine

Test material form:

solid: particulate/powder

Details on test material:

- Name of test material (as cited in study report): JNJ-1594008-AAA (T000293)
- Physical state: solid (powder)
- Appearance: white powder

Specific details on test material used for the study:

- Batch n°: I15JB3618
- Expiration date: 09 October 2019 (retest date)
- Analytical purity: 99.8% (based on base titration assay)
- Storage condition of test material: At room temperature

Results and discussion

Melting / freezing point

Key result

Melting / freezing pt.:

88.2 °C

Atm. press.:

1 013.25 hPa

Decomposition:

yes

Remarks:

A white molten residue remained after the preliminary and main test, indicating reaction and/or decomposition.

Decomp. temp.:

> 325 °C

Any other information on results incl. tables

Preliminary test

From the TGA curve it could be derived that the weight of the sample decreased significantly at 300°C. At 384°C the sample weight has decreased by 25%. After the experiment, a white molten residue remained in the sample container (original colour: white). The change of the colour indicated reaction and/or decomposition of the test item.

Main tests

In order to determine the melting more precisely, the DSC curve with a heating rate of 20°C/min was obtained and showed an endothermic peak between 75°C and 100°C. The extrapolated onset temperature of the peak was 88.290°C. The effect was most likely obtained due to melting. A second endothermic peak was observed starting at 325°C due to reaction and/or decomposition of the test item. After the experiment, a white molten residue remained. To investigate the melting peak between 75°C and 100°C, a repeated heating cycle was applied. The extrapolated onset temperature of the melting peak was 88.112°C. The melting temperature of T000293 was determined as the average melting temperature obtained from Experiment 1 and Experiment 2 and equals 88.2°C (361.4K).

Applicant's summary and conclusion

Conclusions:

The melting temperature of JNJ-1594008-AAA (T000293) was determined at 88.2°C (361.4K) by using DSC.