Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 221-576-1 | CAS number: 3148-73-0
Additional physico-chemical information
Administrative data
- Endpoint:
- other: PM3-calculated stereoelectronic parameters for the initial conformer set
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Reliability:
- other: not assessed
Data source
Reference
- Reference Type:
- publication
- Title:
- 'Dynamic' QSAR for semicarbazide-induced mortality in frog embryos
- Author:
- Mekenyan OG, Schultz TW, Veith GD, Kamenska V
- Year:
- 1 996
- Bibliographic source:
- J Appl Toxicol 16(4):355-63
Materials and methods
Test guideline
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- OASIS software
- GLP compliance:
- no
Test material
- Reference substance name:
- N,N'-diacetylhydrazine
- EC Number:
- 221-576-1
- EC Name:
- N,N'-diacetylhydrazine
- Cas Number:
- 3148-73-0
- Molecular formula:
- C4H8N2O2
- IUPAC Name:
- N'-acetylacetohydrazide
- Details on test material:
- - Name of test material (as cited in study report): Sym-diacetylhydrazine
Constituent 1
Results and discussion
- Results:
- E(HOMO) = -10.181 to -9.135 eV
E(LUMO) = 0.108-0.370 eV
Applicant's summary and conclusion
- Executive summary:
The energy of the highest occupied molecular orbital E(HOMO) and the engery of the lowest unoccupied molecular orbital E(LUMO) were calutated using the OASIS software.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
