1,2-Dibenzoyl-1-tert-butylhydrazine
PubChem CID
86307
Structure
Chemical Safety
Molecular Formula
Synonyms
- 112225-87-3
- 1,2-Dibenzoyl-1-tert-butylhydrazine
- RH-5849
- 1,2-Dibenzoyl-1-(t-butyl)hydrazine
- Yishijing
Molecular Weight
296.4 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-07-07
- Modify:2024-12-28
Description
N'-benzoyl-N-(tert-butyl)benzohydrazide is a bisacylhydrazine insecticide. It is functionally related to a 1,2-dibenzoylhydrazine.
Chemical Structure Depiction
N'-benzoyl-N'-tert-butylbenzohydrazide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C18H20N2O2/c1-18(2,3)20(17(22)15-12-8-5-9-13-15)19-16(21)14-10-6-4-7-11-14/h4-13H,1-3H3,(H,19,21)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
NISLLQUWIJASOV-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C18H20N2O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 1,2-dibenzoyl-t-butylhydrazine
- 1,2-dibenzoyl-tert-butylhydrazine
- N'-benzoyl-N-(tert-butyl)benzohydrazide
- RH 5849
- RH-5849
- 112225-87-3
- 1,2-Dibenzoyl-1-tert-butylhydrazine
- RH-5849
- 1,2-Dibenzoyl-1-(t-butyl)hydrazine
- Yishijing
- RH 5849
- N'-benzoyl-N'-tert-butylbenzohydrazide
- N'-benzoyl-N-(tert-butyl)benzohydrazide
- N'-benzoyl-N-tert-butylbenzohydrazide
- CHEBI:38457
- Benzoic acid,2-benzoyl-1-(1,1-dimethylethyl)hydrazide
- Benzoic acid, 2-benzoyl-1-(1,1-dimethylethyl)hydrazide
- LA6UVC88VD
- 1,2-Dibenzoyl-1-(tert-butyl)hydrazine
- N'-benzoyl-N-(tert-butyl)benzenecarbohydrazide
- 1,2-DIBENZOYL-T-BUTYLHYDRAZINE
- MLS000327768
- 1,2-dibenzoyl-tert-butylhydrazine
- MFCD00940249
- UNII-LA6UVC88VD
- CHEMBL387744
- SCHEMBL1538531
- DTXSID7073800
- NISLLQUWIJASOV-UHFFFAOYSA-N
- 1,2-dibenzoyl-1-t-butylhydrazine
- HMS2431C16
- N'-t-butyl-N,N'-dibenzoylhydrazine
- BDBM50488467
- AKOS005107354
- MS-1114
- RH-05849-2F
- NCGC00246594-01
- N\'-benzoyl-N-(tert-butyl)benzohydrazide
- SMR000180743
- HY-118541
- CS-0066316
- NS00001495
- N'-(1,1-dimethylethyl)-N,N'-dibenzoylhydrazine
- SR-01000308343
- SR-01000308343-1
- Q27117862
- BENZOIC ACID 2-BENZOYL-1-(1,1-DIMETHYLETHYL)HYDRAZIDE
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
296.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
2.3
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
296.152477885 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
296.152477885 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
49.4Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
22
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
388
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Pictogram(s)
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)
ECHA C&L Notifications Summary
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Acute Tox. 4 (100%)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=NISLLQUWIJASOV-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/1,2-Dibenzoyl-1-(tert-butyl)hydrazinehttps://commonchemistry.cas.org/detail?cas_rn=112225-87-3
- ChemIDplus1,2-Dibenzoyl-tert-butylhydrazinehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0112225873ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox1,2-Dibenzoyl-1-tert-butylhydrazinehttps://comptox.epa.gov/dashboard/DTXSID7073800CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-noticeN'-benzoyl-N'-tert-butylbenzohydrazidehttps://echa.europa.eu/substance-information/-/substanceinfo/100.357.900N'-benzoyl-N'-tert-butylbenzohydrazide (EC: 881-743-5)https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/329871
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking1,2-DIBENZOYL-1-TERT-BUTYLHYDRAZINEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/LA6UVC88VD
- ChEBIN'-benzoyl-N-(tert-butyl)benzohydrazidehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38457
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- Japan Chemical Substance Dictionary (Nikkaji)
- Metabolomics WorkbenchN'-benzoyl-N-(tert-butyl)benzohydrazidehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55875
- SpectraBaseBenzoic acid, 2-benzoyl-1-(1,1-dimethylethyl)hydrazidehttps://spectrabase.com/spectrum/Igt1n8EQhe6
- Springer Nature
- WikidataN'-benzoyl-N-(tert-butyl)benzohydrazidehttps://www.wikidata.org/wiki/Q27117862
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html1,2-dibenzoyl-tert-butylhydrazinehttps://www.ncbi.nlm.nih.gov/mesh/67056565
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388706088https://pubchem.ncbi.nlm.nih.gov/substance/388706088
CONTENTS