Registration Dossier

Diss Factsheets

Physical & Chemical properties

Surface tension

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
surface tension
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:
Estimated data from ACD Labs.
Qualifier:
according to guideline
Guideline:
other: Estimated data
Principles of method if other than guideline:
ACD/I-Lab accepts smiles of 3,4-dimethoxyphenethylamine and estimated data for surface tension using v12.1.0.50375.
GLP compliance:
not specified
Type of method:
other: Estimated data
Specific details on test material used for the study:
- IUPAC name: 2-(3,4-dimethoxyphenyl)ethan-1-amine
- Common name: 3,4-dimethoxyphenethylamine
- Molecular weight: 181.2335 g/mole
- Molecular formula: C10H15NO2
- Smiles: COc1ccc(CCN)cc1OC
- Inchl: 1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
- Physical state: Liquid
- Substance type: Organic
Key result
Surface tension:
0.036 N/m
Remarks on result:
other: no other details available
Conclusions:
Based on the data from ACD labs, surface tension for 3,4-dimethoxyphenethylamine was predicted to be 0.036 N/m.
Executive summary:

Based on the data from ACD labs, surface tension for 3,4-dimethoxyphenethylamine was predicted to be 0.036 N/m.

Description of key information

Based on the data from ACD labs, surface tension for 3,4-dimethoxyphenethylamine was predicted to be 0.036 N/m.

Key value for chemical safety assessment

Surface tension:
0.036

Additional information

Based on the data from ACD labs, surface tension for 3,4-dimethoxyphenethylamine was predicted to be 0.036 N/m.