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Home > Nitro Compounds > 1083-48-3
1083-48-3 | 4-(4-Nitrobenzyl)pyridine
CAS No: 1083-48-3 Catalog No: AG003K4O MDL No:MFCD00006445
Product Description
Catalog Number:
AG003K4O
Chemical Name:
4-(4-Nitrobenzyl)pyridine
CAS Number:
1083-48-3
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
MDL Number:
MFCD00006445
IUPAC Name:
4-[(4-nitrophenyl)methyl]pyridine
InChI:
InChI=1S/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2
InChI Key:
MNHKUCBXXMFQDM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Cc1ccncc1
EC Number:
214-108-2
UNII:
0Z6GS37N7H
NSC Number:
83591
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| μ-PADs for detection of chemical warfare agents. | The Analyst 20121207 |
| Chemoassay screening of DNA-reactive mutagenicity with 4-(4-nitrobenzyl)pyridine - application to epoxides, oxetanes, and sulfur heterocycles. | Chemical research in toxicology 20121015 |
| Taurine-nitrite interaction as a precursor of alkylation mechanisms. | Food chemistry 20120915 |
| Potential of the NBP method for the study of alkylation mechanisms: NBP as a DNA-model. | Chemical research in toxicology 20120618 |
| Abietane diterpenes induce cytotoxic effects in human pancreatic cancer cell line MIA PaCa-2 through different modes of action. | Phytochemistry 20120601 |
| Antifungal activities of novel non-azole molecules against S. cerevisiae and C. albicans. | European journal of medicinal chemistry 20120101 |
| Structures of cytochrome P450 2B6 bound to 4-benzylpyridine and 4-(4-nitrobenzyl)pyridine: insight into inhibitor binding and rearrangement of active site side chains. | Molecular pharmacology 20111201 |
| Reactivity of p-nitrostyrene oxide as an alkylating agent. A kinetic approach to biomimetic conditions. | Organic & biomolecular chemistry 20111021 |
| DNA-damaging disinfection byproducts: alkylation mechanism of mutagenic mucohalic acids. | Environmental science & technology 20111015 |
| 1-Methyl-4-(4-nitro-benzo-yl)pyridinium perchlorate. | Acta crystallographica. Section E, Structure reports online 20110901 |
| Diiodidobis[4-(4-nitro-benz-yl)pyridine-κN]zinc. | Acta crystallographica. Section E, Structure reports online 20110301 |
| Cytotoxic and apoptotic effects of six herbal plants against the human hepatocarcinoma (HepG2) cell line. | Chinese medicine 20110101 |
| 4-Amino-benzoic acid-4,4'-(propane-1,3-diyl)dipyridine (1/1). | Acta crystallographica. Section E, Structure reports online 20101101 |
| Alkylating potential of oxetanes. | Chemical research in toxicology 20100719 |
| 4-Amino-benzoic acid-1,2-bis-(4-pyrid-yl)ethane (2/1). | Acta crystallographica. Section E, Structure reports online 20100701 |
| 4-(4-Nitro-benz-yl)pyridinium 5-nitro-salicylate. | Acta crystallographica. Section E, Structure reports online 20100501 |
| Reactivity of the mutagen 1,4-dinitro-2-methylpyrrole as an alkylating agent. | The Journal of organic chemistry 20100305 |
| Sorbate-nitrite interactions: acetonitrile oxide as an alkylating agent. | Chemical research in toxicology 20090701 |
| Decreased susceptibility of the cytochrome P450 2B6 variant K262R to inhibition by several clinically important drugs. | Drug metabolism and disposition: the biological fate of chemicals 20090301 |
| Evaluation of fluoren-NU as a novel antitumor agent. | Oncology research 20090101 |
| Chemical reactivity and biological activity of diketene. | Chemical research in toxicology 20081001 |
| Abstracts of papers presented at the 2008 pittsburgh conference. | Journal of automated methods & management in chemistry 20080101 |
| Genotoxicity profiles of common alkyl halides and esters with alkylating activity. | Mutation research 20071004 |
| New potent and selective cytochrome P450 2B6 (CYP2B6) inhibitors based on three-dimensional quantitative structure-activity relationship (3D-QSAR) analysis. | British journal of pharmacology 20070401 |
| Synthesis, spectroscopy and alkylating properties of Pd(II) complexes of phosphorohydrazones of coumarin and chromone with potential antibacterial activity. | Acta poloniae pharmaceutica 20070101 |
| In vitro induction of micronuclei by monofunctional methanesulphonic acid esters: possible role of alkylation mechanisms. | Chemico-biological interactions 20061201 |
| Autoxidative activation of the nematocide 1,3-dichloropropene to highly genotoxic and mutagenic derivatives: consideration of genotoxic/carcinogenic mechanisms. | Chemical research in toxicology 20060701 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Alkylating potential of potassium sorbate. | Journal of agricultural and food chemistry 20051228 |
| Colorimetric assays for quantitative analysis and screening of epoxide hydrolase activity. | Biotechnology letters 20051201 |
| Evaluation of fluorenhymustine as a rationally designed novel anticancer agent. | Experimental oncology 20051201 |
| Colorimetric high-throughput assay for alkene epoxidation catalyzed by cytochrome P450 BM-3 variant 139-3. | Journal of biomolecular screening 20040301 |
| Nitrosation of glycine ethyl ester and ethyl diazoacetate to give the alkylating agent and mutagen ethyl chloro(hydroximino)acetate. | Chemical research in toxicology 20040301 |
| Alkylating reactivity and herbicidal activity of chloroacetamides. | Pest management science 20030401 |
| On-resin real-time reaction monitoring of solid-phase oligosaccharide synthesis. | Journal of the American Chemical Society 20021030 |
| Mutagenicity of bisphenol A (4,4'-isopropylidenediphenol) in vitro: effects of nitrosylation. | Teratogenesis, carcinogenesis, and mutagenesis 20020101 |
| Synthesis, antimicrobial, and alkylating properties of 3-phosphonic derivatives of chromone. | Archiv der Pharmazie 20011201 |
| Metabolic activation of mitomycin C by NADPH-ferredoxin reductase in vitro. | Life sciences 20010223 |
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