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EC number: 228-770-5 | CAS number: 6358-36-7
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 21-11-2017 - 21-11-2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Experimental test result performed using standard test guidelines
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Test Item Name : 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride
CAS No. : 6358-36-7
Batch No./ Lot no. : KCP/FS/44/17
Physical Appearance : Yellow powder
Light sensitive / Hygroscopic / Volatile / None applicable: -
Date of manufacturing : 2017-05-01
Date of expiry : 2017-04-12
Purity : not avaiable in COA
Stability : Stable in recommended storage conditions
Storage Conditions : 1. Ambient Temp (23 to 27 °C) (Keep container tightly closed in a dry & well-ventilated place. Store in cool place. Do not expose to air, light & moisture.)
Precautions : Wear respiratory protection. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Molecular formula : C21-H29-N3.Cl-H
Molecular weight : 359.942 - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.757
- Temp.:
- 25 °C
- pH:
- 7
- Details on results:
- The Partition coefficient (Pow) of the 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride (CAS No. 6358-36-7)was found to be 1.757 ± 0.002
at 25°C - Conclusions:
- The partition coefficient(n-octanol/water) of test substance 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride (CAS No. 6358-36-7)was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was found to be 1.757 ± 0.002 at 25°C.
- Executive summary:
The partition Coefficient n-octanol/water of 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride(CAS No.6358-36-7) was determined by the
Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference
substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were
Butanone, Acetophenone, Benzophenone, Phenol, Benzene, 2,6-Diphenylpyridine, Triphenylamine, 4-Acetylpyridine, 2-Nitrophenol, Nitrobenzene,
Diphenylamine, Naphthalene having Pow value ranging from 0.3 to 5.7 The Log Pow value was found to be 1.757 ± 0.002 at 25°C.
Reference
Test substance
|
K |
Log k |
Log Pow by Generalized Calibration Graph |
Mean of Log Pow ± S.D. |
|
tR1 |
1.492 |
0.660 |
-0.180 |
1.758 |
1.757±0.002 |
tR2 |
1.491 |
0.659 |
-0.181 |
1.756 |
|
Description of key information
The partition coefficient(n-octanol/water) of test substance 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride (CAS No. 6358-36-7)was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was found to be 1.757 ± 0.002 at 25°C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.757
Additional information
The partition Coefficient n-octanol/water of 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride(CAS No.6358-36-7) was determined by the
Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference
substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were
Butanone, Acetophenone, Benzophenone, Phenol, Benzene, 2,6-Diphenylpyridine, Triphenylamine, 4-Acetylpyridine, 2-Nitrophenol, Nitrobenzene,
Diphenylamine, Naphthalene having Pow value ranging from 0.3 to 5.7 The Log Pow value was found to be 1.757 ± 0.002 at 25°C.
IN other supporting data KOWWIN v1.68 was used to estimate the octanol- water partition coefficient of Benzenamine, 4,4'-carbonimidoylbis(N,N-diethyl-, hydrochloride (1:1) [Basic Yellow 37].The estimated Log Pow of Benzenamine, 4,4'-carbonimidoylbis(N,N-diethyl-, hydrochloride (1:1) [Basic Yellow 37] was 2.55.
Both these value indicates that the substance 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride is hydrophillic in nature, which is also supported by its water solubility.
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