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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2017-03-13 to 2017-05-12
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 guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.1 (Melting / Freezing Temperature)
Deviations:
no
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

Constituent 1
Chemical structure
Reference substance name:
1'-(phenylmethyl)-[1,4'-bipiperidine]-4'-carbonitrile
EC Number:
282-544-0
EC Name:
1'-(phenylmethyl)-[1,4'-bipiperidine]-4'-carbonitrile
Cas Number:
84254-97-7
Molecular formula:
C18H25N3
IUPAC Name:
1'-benzyl-[1,4'-bipiperidine]-4'-carbonitrile
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
- Batch n°: I15IB3393
- Analytical purity: 99.93%
- Expiration date: 2017-10-25
- Storage condition: at room temperature

Results and discussion

Melting / freezing point
Key result
Melting / freezing pt.:
106.1 °C
Atm. press.:
1 013.25 hPa
Decomposition:
yes
Remarks:
A dark yellow to orange/brown molten residue remained after the preliminary and main test, indicating reaction and/or decomposition.
Decomp. temp.:
> 150 °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 225°C. At 320°C the sample weight has decreased by 25%. After the experiment, an orange/brown molten residue remained in the sample container (original colour: beige). 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 125°C. The extrapolated onset temperature of the peak was 105.956°C. The effect was most likely obtained due to melting. A second endothermic peak was observed between 150°C and 320°C due to reaction and/or decomposition of the test item. After the experiment, a dark yellow molten residue remained. To investigate the melting peak between 75°C and 125°C, a repeated heating cycle was applied. The extrapolated onset temperature of the melting peak was 106.149°C. The melting temperature of T000745 was determined as the average melting temperature obtained from Experiment 1 and Experiment 2 and equals 106.1°C (379.2K).

Applicant's summary and conclusion

Conclusions:
The melting temperature of JNJ-1594983-AAA (T000745) was determined at 106.1°C (379.2K) by using DSC.