Benzoic acid, 4-nitro-, cyclopentylidenehydrazide

Modify Date: 2025-08-25 11:19:27

Benzoic acid, 4-nitro-, cyclopentylidenehydrazide Structure
Benzoic acid, 4-nitro-, cyclopentylidenehydrazide structure
Common Name Benzoic acid, 4-nitro-, cyclopentylidenehydrazide
CAS Number 329-83-9 Molecular Weight 247.25000
Density 1.36g/cm3 Boiling Point N/A
Molecular Formula C12H13N3O3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name N-(cyclopentylideneamino)-4-nitrobenzamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.36g/cm3
Molecular Formula C12H13N3O3
Molecular Weight 247.25000
Exact Mass 247.09600
PSA 87.28000
LogP 3.16870
Index of Refraction 1.642
InChIKey QVSXYVVAOWEMJV-UHFFFAOYSA-N
SMILES O=C(NN=C1CCCC1)c1ccc([N+](=O)[O-])cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH5425000
CHEMICAL NAME :
Benzoic acid, p-nitro-, cyclopentylidenehydrazide
CAS REGISTRY NUMBER :
329-83-9
BEILSTEIN REFERENCE NO. :
3353138
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H13-N3-O3
MOLECULAR WEIGHT :
247.28
WISWESSER LINE NOTATION :
L5TJ AMMVR DNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 9,340,1957

 Safety Information

HS Code 2928000090

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2928000090
Summary 2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

 Bioassay

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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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 Synonyms

4-nitro-benzoic acid cyclopentylidenehydrazide
BENZOIC ACID,p-NITRO-,CYCLOPENTYLIDENEHYDRAZIDE
p-Nitrobenzoic acid cyclopentylidene hydrazide
4-Nitro-benzoesaeure-cyclopentylidenhydrazid
benzoic acid,4-nitro-,2-cyclopentylidenehydrazide
N-cyclopentylidene-4-nitrobenzohydrazide
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