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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
data is from modelling database
Qualifier:
according to guideline
Guideline:
other: estimated data
Principles of method if other than guideline:
WSKOW v1.42 was used to estimate the water solubility of 4,4',4''-Triaminotrityl alcohol
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material : 4,4',4''-Triaminotrityl alcohol
- Molecular formula : C19H19N3O
- Molecular weight : 305.379 g/mol
- Smiles notation : C(c1ccc(N)cc1)(c1ccc(N)cc1)(c1ccc(N)cc1)O
- InChl : 1S/C19H19N3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H,20-22H2
- Substance type: Organic
- Physical state: Solid
Key result
Water solubility:
464 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: Estimated data
Conclusions:
The estimated water solubility of 4,4',4''-Triaminotrityl alcohol at 25 deg C was 464 mg/L.
Executive summary:

WSKOW v1.42 was used to estimate the water solubility of 4,4',4''-Triaminotrityl alcohol.

The estimated water solubility of 4,4',4''-Triaminotrityl alcohol at 25 deg C was 464mg/L.

Based on the estimated value, 4,4',4''-Triaminotrityl alcohol was moderately soluble in water.

Description of key information

The estimated water solubility of 4,4',4''-Triaminotrityl alcohol at 25 deg C was 464 mg/L.

Key value for chemical safety assessment

Water solubility:
464 mg/L
at the temperature of:
25 °C

Additional information

WSKOW v1.42 was used to estimate the water solubility of 4,4',4''-Triaminotrityl alcohol.

The estimated water solubility of 4,4',4''-Triaminotrityl alcohol at 25 deg C was 464mg/L.

Based on the estimated value, 4,4',4''-Triaminotrityl alcohol was moderately soluble in water.