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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Water solubility

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
water solubility
Type of information:
(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:
1. SOFTWARE: EPIWIN in QSAR Toolbox
2. MODEL (incl. version number); WSKOW v1.42
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: HN(C(=O)C(O)C(O)C(O)C(O)CO)CCCN(Cl)(C)(C)CCO
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: Water solubility
- Calculation based on 6 different fragments
Principles of method if other than guideline:
WSKOW v1.42: Water Solubility from Kow
GLP compliance:
no
Type of method:
other: WSKOW v1.42: Water Solubility from Kow
Specific details on test material used for the study:
SMILES : N(C(=O)C(O)C(O)C(O)C(O)CO)CCCN(CL)(C)(C)CCO
Key result
Water solubility:
1 000 g/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
7
Conclusions:
1-Propanaminium, 3-(D-gluconoylamino)-N-(2-hydroxyethyl)-N,N-dimethyl-, chloride is highly soluble in water.

Description of key information

1-Propanaminium, 3-(D-gluconoylamino)-N-(2-hydroxyethyl)-N,N-dimethyl-, chloride is highly soluble in water. Solubility is based on the Kow estimated by QSAR.

Key value for chemical safety assessment

Water solubility:
1 000 g/L
at the temperature of:
20 °C

Additional information