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100-65-2,MFCD00045718
Catalog No.:AA000049
100-65-2 | Benzenamine, N-hydroxy-
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Technical Information
Catalog Number:
AA000049
Chemical Name:
Benzenamine, N-hydroxy-
CAS Number:
100-65-2
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
MDL Number:
MFCD00045718
IUPAC Name:
N-phenylhydroxylamine
InChI:
InChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H
InChI Key:
CKRZKMFTZCFYGB-UHFFFAOYSA-N
SMILES:
ONc1ccccc1
EC Number:
202-875-6
UNII:
282MU82Z9A
NSC Number:
223099
UN Number:
2811
Properties
Computed Properties
 
Complexity:
59.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.053g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
hydroxylaminobenzene 
phenylhydroxylamine 
Hydroxylaminobenzene 
Hydroxylamine, N-phenyl- 
Aniline, N-hydroxy- 
N-Phenyl-hydroxylamine 
N-hydroxylaniline 
Benzene, hydroxylamino- 
HYDROXYAMINOBENZENE 
NCI-C60093 
NSC 223099 
UNII-282MU82Z9A 
phenylhydroxylamine hydrochloride 
(Hydroxyamino)benzene 
CCRIS 5062 
HSDB 2884 
beta-Phenylhydroxylamine 
EINECS 202-875-6 
.beta.-Phenylhydroxylamine 
BRN 0507174 
CHEMBL320474 
CHEBI:28902 
CKRZKMFTZCFYGB-UHFFFAOYSA-N 
N-PHENYLHYDROXYLAMINE 
282MU82Z9A 
NSC223099 
AK139965 
phenylhydroxylamin 
phenyl hydroxyamine 
N-hydroxybenzeneamine 
N-phenyl-hydroxyamine 
beta-henylhydroxylamine 
N-phenyl hydroxylamine 
AC1L1OXY 
100-65-2 
AC1Q7DJM 
WLN: QMR 
DSSTox_CID_5889 
ACMC-1C7E0 
DSSTox_RID_77961 
DSSTox_GSID_25889 
SCHEMBL98310 
4-15-00-00004 (Beilstein Handbook Reference) 
DTXSID3025889 
CKRZKMFTZCFYGB-UHFFFAOYSA- 
Phenylhydroxylamine 
CTK0H6469 
ZINC901466 
Tox21_202727 
BDBM50082143 
FCH925980 
LS-310 
MFCD00045718 
AKOS006239323 
CS-W007515 
MCULE-7135499568 
N-Hydroxyaniline 
NSC-223099 
VZ33407 
KS-000018O3 
N-Phenylhydroxylamine, >=97.0% (GC) 
NCGC00260275-01 
AJ-24361 
CAS-100-65-2 
DA-19654 
SC-53826 
ZB015281 
Benzenamine, N-hydroxy- 
AX8167732 
TC-165639 
FT-0656437 
ST24048678 
C02720 
100P652 
A800252 
J-000193 
S01-0238 
InChI=1/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H 
N-Hydroxybenzenamine 
Hydroxyaniline 
phenylhydroxylamin- 
N(O)c1ccccc1 
NITROSOBENZENE 
N-hydroxy-benzenamine, 95+% 
phenylhydroxylamine hydrochloride 
C6-H7-N-O 
CID7518 
AR-1K7194 
c0315 
Phenylhydroxyamine 
NA2811 
UN2811 
C012484 
5415-59-8 
NBE 
Literature

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Journal: Indian journal of occupational and environmental medicine 20110101

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Journal: Bioorganic & medicinal chemistry letters 20100915

Title: Targeted LC-MS derivatization for aldehydes and carboxylic acids with a new derivatization agent 4-APEBA.

Journal: Analytical and bioanalytical chemistry 20100501

Title: Nitroreductase from Salmonella typhimurium: characterization and catalytic activity.

Journal: Organic & biomolecular chemistry 20100421

Title: Water--more than just a green solvent: a stereoselective one-pot access to all-chiral tetrahydronaphthalenes in aqueous media.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20100322

Title: Structure-activity studies on arylamides and arysulfonamides Ras inhibitors.

Journal: Current cancer drug targets 20100301

Title: Monocyclic aromatic amines as potential human carcinogens: old is new again.

Journal: Carcinogenesis 20100101

Title: Eco-contribution for the production of N-arylnitrones: solvent-free and assisted by microwaves.

Journal: International journal of molecular sciences 20100101

Title: Clinical physiology and mechanism of dizocilpine (MK-801): electron transfer, radicals, redox metabolites and bioactivity.

Journal: Oxidative medicine and cellular longevity 20100101

Title: Structural modifications of quinoline-based antimalarial agents: Recent developments.

Journal: Journal of pharmacy & bioallied sciences 20100101

Title: Detection of endocrine disrupting chemicals in aerial invertebrates at sewage treatment works.

Journal: Chemosphere 20091201

Title: Oriented organic islands and one-dimensional chains on a Au(111) surface fabricated by electrodeposition: an STM study.

Journal: Journal of the American Chemical Society 20080910

Title: Application of the PM6 method to modeling the solid state.

Journal: Journal of molecular modeling 20080601

Title: Transcriptome analysis of the response to chronic constant hypoxia in zebrafish hearts.

Journal: Journal of comparative physiology. B, Biochemical, systemic, and environmental physiology 20080101

Title: Mechanistic studies of copper(I)-catalyzed allylic amination.

Journal: Journal of the American Chemical Society 20071212

Title: An electrochemical and XPS study of reduction of nitrophenyl films covalently grafted to planar carbon surfaces.

Journal: Langmuir : the ACS journal of surfaces and colloids 20071023

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Journal: Biotechnology and bioengineering 20071015

Title: Electrochemical reduction of nitrobenzene at carbon nanotube electrode.

Journal: Journal of hazardous materials 20070905

Title: Mechanistic study on aniline-induced erythrocyte toxicity.

Journal: Arhiv za higijenu rada i toksikologiju 20070901

Title: Synthesis of tetra-ortho-substituted, phosphorus-containing and carbonyl-containing biaryls utilizing a Diels-Alder approach.

Journal: Journal of the American Chemical Society 20070725

Title: Characterization of genes involved in the initial reactions of 4-chloronitrobenzene degradation in Pseudomonas putida ZWL73.

Journal: Applied microbiology and biotechnology 20061101

Title: A phase I study of single administration of antibody-directed enzyme prodrug therapy with the recombinant anti-carcinoembryonic antigen antibody-enzyme fusion protein MFECP1 and a bis-iodo phenol mustard prodrug.

Journal: Clinical cancer research : an official journal of the American Association for Cancer Research 20061101

Title: Coimmobilization of a redox enzyme and a cofactor regeneration system.

Journal: Chemical communications (Cambridge, England) 20060914

Title: Microdroplet dissolution into a second-phase solvent using a micropipet technique: test of the Epstein-Plesset model for an aniline-water system.

Journal: Langmuir : the ACS journal of surfaces and colloids 20060425

Title: Double-layer effects and distance dependence of electron transfer in reduction of nitro aromatic radical anions.

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Title: Genotoxic activities of aniline and its metabolites and their relationship to the carcinogenicity of aniline in the spleen of rats.

Journal: Critical reviews in toxicology 20051201

Title: Computational study on the mechanism and rate constant for the C6H5 + C6H5NO reaction.

Journal: The journal of physical chemistry. A 20051013

Title: Design, synthesis and biological evaluation of sugar-derived Ras inhibitors.

Journal: Chembiochem : a European journal of chemical biology 20051001

Title: Substitution and condensation reactions with poly(anilineboronic acid): reactivity and characterization of thin films.

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Journal: Journal of environmental pathology, toxicology and oncology : official organ of the International Society for Environmental Toxicology and Cancer 20050101

Title: Hemolytic potential of structurally related aniline halogenated hydroxylamines.

Journal: Journal of environmental pathology, toxicology and oncology : official organ of the International Society for Environmental Toxicology and Cancer 20050101

Title: The hemotoxicity of para-substituted aniline analogs in dog and rat erythrocytes: a species comparison.

Journal: Ethnicity & disease 20050101

Title: Stepwise oxidation of anilines by cis-[RuIV(bpy)2(py)(O)]2+.

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Journal: Cancer gene therapy 20040501

Title: The kinetics and mechanism of the ferrate(VI) oxidation of hydroxylamines.

Journal: Inorganic chemistry 20031020

Title: Comparative molecular field analysis of substrates for an aryl sulfotransferase based on catalytic mechanism and protein homology modeling.

Journal: Journal of medicinal chemistry 20021205

Title: Interdependent chemical-electrochemical steps in retrometabolism-based drug and safer chemical design.

Journal: Die Pharmazie 20020201

Title: Interaction between dioxoruthenium(VI) porphyrins and hydroxylamines: coordination of N-substituted hydroxylamine to ruthenium and X-ray crystal structures of ruthenium complexes with a unidentate nitrosoarene ligand.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20010601

Title: T cells ignore aniline, a prohapten, but respond to its reactive metabolites generated by phagocytes: possible implications for the pathogenesis of toxic oil syndrome.

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Journal: British medical journal 19711127

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