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EC number: 814-319-5 | CAS number: 110393-28-7
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- no
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- diethyl({3-[(4-nitrophenyl)formamido]propyl})azanium chloride
- EC Number:
- 814-319-5
- Cas Number:
- 110393-28-7
- Molecular formula:
- C14H22N3O3Cl
- IUPAC Name:
- diethyl({3-[(4-nitrophenyl)formamido]propyl})azanium chloride
- Test material form:
- solid: particulate/powder
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- -0.99
- Temp.:
- 23 °C
- pH:
- > 8 - < 8.2
Any other information on results incl. tables
Results in detail
| Determ. No | stock solution [ml] | n-octanol [ml] | test substance conc in n-octanol [mg/L] |
test substance conc in water [mg/L] |
Log Pow |
A1 |
5 |
10 |
64.76 |
634.8 |
-0.99 |
A2 |
5 |
10 |
59.25 |
629.9 |
-1.03 |
B1 |
10 |
10 |
65.18 |
563.7 |
-0.94 |
B2 |
10 |
10 |
64.13 |
632.1 |
-0.99 |
C1 |
20 |
10 |
64.03 |
630.6 |
-0.99 |
C2 |
20 |
10 |
66.73 | 641.0 | -0.98 |
| mean | -0.99 |
HPLC conditions:
Column : Aquasil C18, 150 mm x 4.6 mm ID, 3 µm
Eluent A : 0,05 mo1/1 phosphoric acid/acetonitrile 95/5 (v/v)
Eluent B : acetonitrile
Gradient : 0 min 100 % A
: 10 min 10 % A
: 10,1 min 100 % A
: 15 min 100 % A
Flow rate : 1.5 ml/min
Temperature : 40 °C
Detector : UV, 200 nm Inj. Volume : 5 µl
Recovery rate: 96 - 116%
Applicant's summary and conclusion
- Conclusions:
- The Log Pow of the substance is -0.99 at 23°C.
- Executive summary:
The Partition Coefficient n-octanol/water of the substance was determined according to OECD 107 with the shake flask method and was found to be -0.99 at 23°C.
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