Registration Dossier
Registration Dossier
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EC number: 219-648-2 | CAS number: 2491-06-7
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- 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:
- ACD (Advanced Chemistry Development)/I-Lab predictive module
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- Estimation of octanol water partition coefficient of the test substance 2-(dimethylamino)acetic acid hydrochloride.
- GLP compliance:
- not specified
- Other quality assurance:
- other: No data
- Type of method:
- other: Estimated
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name of test material : 2-(dimethylamino)acetic acid hydrochloride; N,N-dimethylglycinium chloride
- Molecular formula : C4H10ClNO2
- Molecular weight : 139.581 g/mol
- Smiles notation : OC(=O)CN(C)C.Cl
- InChl : 1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H
- Substance type: Organic
- Physical state: Solid - Key result
- Type:
- log Pow
- Partition coefficient:
- -0.3
- Remarks on result:
- other: Partition coefficient ranges from -0.3 ±0.31
- Details on results:
- The LogPow of the test chemical 2-(dimethylamino)acetic acid hydrochloride was estimated to be -0.3 ±0.31.
- Conclusions:
- The LogPow of the test chemical 2-(dimethylamino)acetic acid hydrochloride was estimated to be -0.3 ±0.31.
- Executive summary:
The octanol water partition coefficient of test substance 2-(dimethylamino)acetic acid hydrochloride (2491 -06 -7) was estimated using Partition coefficient module ( v5.0.0.184) program.
The LogPow of the test chemical 2-(dimethylamino)acetic acid hydrochloride was estimated to be -0.3 ±0.31.
Reference
Description of key information
The octanol water partition coefficient of test substance 2-(dimethylamino)acetic acid hydrochloride (2491 -06 -7) was estimated using Partition coefficient module ( v5.0.0.184) program.
The LogPow of the test chemical 2-(dimethylamino)acetic acid hydrochloride was estimated to be -0.3 ±0.31.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.3
Additional information
The octanol water partition coefficient of test substance 2-(dimethylamino)acetic acid hydrochloride (2491 -06 -7) was estimated using Partition coefficient module ( v5.0.0.184) program.
The LogPow of the test chemical 2-(dimethylamino)acetic acid hydrochloride was estimated to be -0.3 ±0.31.
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