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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
secondary literature
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:
To estimate the water solubility for the substance Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate using OPERA V1.02
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material: Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate
- IUPAC name: 4-amino-N-(4-aminophenyl)-N-(4-methylidenecyclohexa-2,5-dien-1-ylidene)anilinium acetate
- Molecular formula: C21H21N3O2
- Molecular weight: 347.416 g/mole
- Smiles : N=C1C=C\C(C=C1)=C(\c1ccc(N)cc1)c1ccc(N)cc1.C(C)(=O)O
- Inchl: 1S/C19H17N3.C2H4O2/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;1-2(3)4/h1-12,20H,21-22H2;1H3,(H,3,4)
- Substance type: Organic
- Physical state: Solid
Key result
Water solubility:
0.002 mg/L
Conc. based on:
test mat.
Remarks on result:
other: estimated value
Conclusions:
The estimated water solubility of the substance Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate was 0.00170 mg/L.
Executive summary:

The water solubility of the substance Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate was estimated using OPERA v1.02.

The estimated water solubility of the substance Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate was 0.00170 mg/L.

The value suggested that the substance Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate is insoluble in water.

Description of key information

The estimated water solubility of the substance Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate was 0.00170 mg/L.

Key value for chemical safety assessment

Water solubility:
0.002 mg/L

Additional information

The water solubility of the substance Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate was estimated using OPERA v1.02.

The estimated water solubility of the substance Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate was 0.00170 mg/L.

The value suggested that the substance Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate is insoluble in water.