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Administrative data

Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
1. SOFTWARE
EPISuite

2. MODEL
EPI Suite v 4.1/ MPBPWIN v1.43

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCN1CCN(C(=O)NC(C(=O)(O))c2ccc(O)cc2)C(=O)C1(=O)

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: Vapour pressure

Data source

Reference
Reference Type:
other: QSAR model
Title:
EPI Suite v 4.1/ MPBPWIN v1.43
Author:
US EPA
Year:
2011
Bibliographic source:
http://epa.gov/oppt/exposure/pubs/episuite.htm

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
1. SOFTWARE
EPISuite

2. MODEL
EPI Suite v 4.1/ MPBPWIN v1.43

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCN1CCN(C(=O)NC(C(=O)(O))c2ccc(O)cc2)C(=O)C1(=O)

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: Vapor Pressure
-Method: Modified Grain method
GLP compliance:
not specified

Test material

Constituent 1
Chemical structure
Reference substance name:
(R)-(-)-alpha-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-4-hydroxybenzeneacetic acid
EC Number:
625-629-3
Cas Number:
62893-24-7
Molecular formula:
C15H17N3O6
IUPAC Name:
(R)-(-)-alpha-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-4-hydroxybenzeneacetic acid
Test material form:
solid: crystalline

Results and discussion

Vapour pressure
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
0 mm Hg
Remarks on result:
not measured/tested

Applicant's summary and conclusion

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