Registration Dossier
Registration Dossier
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EC number: 230-589-1 | CAS number: 7209-38-3
Boiling point
Administrative data
- Endpoint:
- boiling point
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- 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
Scifinder Copyright © 2017 American Chemical Society
EPI Suite Version 4.11
2. MODEL (incl. version number)
Scifinder Copyright © 2017 American Chemical Society
EPI Suite Version 4.11
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : N(CCN(C1)CCCN)(C1)CCCN
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The Estimation Programs Interface (EPI) Suite TM was developed by the US Enviromental Protection Agency's Offic of Pollution Prevention and Toxic and Syracuse Research Corporation (SRC). It is screening-level tool, intended for use in applications such as to quickly screen chemicals for release potential and "bin" chemicals by priority for future work. Estimated values should not be used when experimental (measured) values are available.
Data source
Reference
- Title:
- Scifinder Copyright © 2017 American Chemical Society
- Year:
- 2 017
- Bibliographic source:
- Experimental properties - Thermal
Materials and methods
Test guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Test material
- Reference substance name:
- N,N'-bis(3-aminopropyl)piperazine
- EC Number:
- 230-589-1
- EC Name:
- N,N'-bis(3-aminopropyl)piperazine
- Cas Number:
- 7209-38-3
- Molecular formula:
- C10H24N4
- IUPAC Name:
- 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine
Constituent 1
- Specific details on test material used for the study:
- SMILES : N(CCN(C1)CCCN)(C1)CCCN
Results and discussion
Boiling point
- Key result
- Boiling pt.:
- 150 - 152 °C
- Atm. press.:
- 1 013 Pa
- Remarks on result:
- other:
- Remarks:
- QSAR predicted value
Any other information on results incl. tables
Scifinder predicted that N,N'-Bis(3-aminopropyl)piperazine has a boiling point of 150 -152°C.
Applicant's summary and conclusion
- Conclusions:
- Scifinder predicted that N,N'-Bis(3-aminopropyl)piperazine has a boiling point of 150 -152°C.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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