ANILINE HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H7N.ClH
Molecular Weight	129.587
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.NC1=CC=CC=C1

InChI

InChIKey=MMCPOSDMTGQNKG-UHFFFAOYSA-N

InChI=1S/C6H7N.ClH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C6H7N
Molecular Weight	93.1265
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: http://www.fda.gov/downloads/drugs/guidancecomplianceregulatoryinformation/guidances/ucm464285.pdf

Aniline is a toxic organic compound consisting of a phenyl group attached to an amino group. It is the prototypical aromatic amine. Aniline and its derivatives are very important for the synthesis of chemical products such as dyes, resins, and medicines. The main use of aniline is in the manufacture of precursors to polyurethane. Aniline is a carcinogen that is considered to induce tumors secondary to hemosiderosis as a consequence of methemoglobinemia. Aniline is classified as Group 3, not classifiable as to its carcinogenicity in humans (IARC, 480 1987b). Aniline occurs naturally in some foods (i.e., corn, grains, beans, and tea), but the larger source of exposure is in industrial settings. Lifetime permissible daily exposure (PDE) for aniline is 720 ug/day. Simple anilines such as aniline and monosubstituted anilines are known to disappear from the environment mainly via biodegradation.

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
Tyrosine kinase inhibitors against EGF receptor-positive malignancies.	2001	11217368
The use of amino compounds for binding 2,4,6-trinitrotoluene in water.	2001	11202755
Assessment of chloroaniline toxicity by the submitochondrial particle assay.	2001 Apr	11345459
Removal and recovery of p-phenylenediamines developing compounds from photofinishing lab-washwater using clinoptilolite tuffs from Greece.	2001 Apr	11317909
Naphthol-ASBI phosphate as a preferred substrate for tartrate-resistant acid phosphatase isoform 5b.	2001 Apr	11316008
T cells ignore aniline, a prohapten, but respond to its reactive metabolites generated by phagocytes: possible implications for the pathogenesis of toxic oil syndrome.	2001 Apr	11304127
Determination of the levels of aromatic amines in indoor and outdoor air in Italy.	2001 Apr	11302581
Efficacy and safety of eltenac gel in the treatment of knee osteoarthritis.	2001 Apr	11300751
The utilization of aniline, chlorinated aniline, and aniline blue as the only source of nitrogen by fungi in water.	2001 Apr	11268842
The effects of exogenous calcium buffers on the systolic calcium transient in rat ventricular myocytes.	2001 Apr	11259304
Diastereoselective synthesis of substituted tetrahydroquinoline-4-carboxylic esters by a tandem reduction-reductive amination reaction.	2001 Apr 20	11304207
Phenylene ethynylene diazonium salts as potential self-assembling molecular devices.	2001 Apr 5	11277778
Characterisation using FLIPR of human vanilloid VR1 receptor pharmacology.	2001 Apr 6	11301059
Water-soluble propofol analogues with intravenous anaesthetic activity.	2001 Apr 9	11294393
The lipid charge density at the bilayer surface modulates the effects of melittin on membranes.	2001 Feb	11269939
Synthesis, characterization, and comparative 32P-postlabeling efficiencies of 2,6-dimethylaniline-DNA adducts.	2001 Feb	11258965
Studies on the effect of diadenlyated nucleotides on calcium mobilization and prostacyclin synthesis in bovine aortic endothelial cells.	2001 Feb	11257460
Determination of bromethalin in commercial rodenticides found in consumer product samples by HPLC-UV-vis spectrophotometry and HPLC-negative-ion APCI-MS.	2001 Feb	11245225
Expression of extracellular calcium-sensing receptor in human osteoblastic MG-63 cell line.	2001 Feb	11208534
Variation in enzymes of arylamine procarcinogen biotransformation among bladder cancer patients and control subjects.	2001 Feb	11207033
Vibrational overtone spectra of chloroanilines--evidence for intramolecular hydrogen bonding in o-chloroaniline.	2001 Feb	11206568
The influence of substituent groups on the resonance stabilization of benzene. An ab initio computational study.	2001 Feb 23	11312942
Dansylation of hydroxyl and carboxylic acid functional groups.	2001 Feb 26	11245890
Inhibition kinetics of green crab (Scylla serrata) alkaline phosphatase by zinc ions: a new type of complexing inhibition.	2001 Feb 9	11342026
Storage time and deodorization temperature influence the formation of aniline-derived compounds in denatured rapeseed oils.	2001 Jan	11259855
Increase in nuclear calcium in smooth muscle cells exposed to oxidized low density lipoprotein.	2001 Jan	11234999
Identification of an organic anion transport system in the human colon carcinoma cell line HT29 clone 19A.	2001 Jan	11212217
Stark effects in gas-phase electronic spectra. Dipole moment of aniline in its excited S(1) state.	2001 Jan 10	11273605
Palladium-catalyzed amination of aryl bromides and aryl triflates using diphosphane ligands: a kinetic study.	2001 Jan 19	11271534
Capillary zone electrophoresis of basic analytes in methanol as non-aqueous solvent mobility and ionisation constant.	2001 Jan 5	11206793
Dinitroaniline herbicides against protozoan parasites: the case of Trypanosoma cruzi.	2001 Mar	11286798
Cytotoxic effects of peroxynitrite, polymorphonuclear neutrophils, free-radical scavengers, inhibitors of myeloperoxidase, and inhibitors of nitric oxide synthase on bovine mammary secretory epithelial cells.	2001 Mar	11277188
Selective electrocatalytic oxidation of N-alkyl-N-methylanilines to N-alkylformanilides using nitroxyl radical.	2001 Mar	11253925
A high-throughput microtiter plate-based calcium assay for the study of protease-activated receptor 2 activation.	2001 Mar	11237343
Simulation of biological degradation of aromatic amines in river bed sediments.	2001 Mar	11228957
Biodegradability of metronidazole, olaquindox, and tylosin and formation of tylosin degradation products in aerobic soil--manure slurries.	2001 Mar	11222042
Optimization of force constants with an Urey-Bradley force field avoiding normal mode crossings.	2001 Mar 1	11300565
Structure of exciplexes: solvent and temperature dependences of charge transfer character.	2001 Mar 1	11300559
Synthesis and Src kinase inhibitory activity of a series of 4-phenylamino-3-quinolinecarbonitriles.	2001 Mar 1	11262092
Relationship of Ca2+ sparks to STOCs studied with 2D and 3D imaging in feline oesophageal smooth muscle cells.	2001 Mar 1	11230506
Bimetallic reactivity. On the use of oxadiazoles as binucleating ligands.	2001 Mar 12	11300847
Formaldehyde-mediated modification of natural deoxyguanosine with amines: one-pot cyclization as a molecular model for genotoxicity.	2001 Mar 12	11266179
A phase I study of RSR13, a radiation-enhancing hemoglobin modifier: tolerance of repeated intravenous doses and correlation of pharmacokinetics with pharmacodynamics.	2001 Mar 15	11240256
Synthesis of functional aromatic multisulfonyl chlorides and their masked precursors.	2001 Mar 23	11300908
Evaluation of the gender differences in 4,4'-methylenedianiline toxicity, distribution, and effects on biliary parameters.	2001 Mar 23	11289319
Binding of substituted phenol and aniline derivatives to the corn protein zein studied by high-performance liquid chromatography.	2001 Mar 25	11302450
Predictive value of sperm chromatin condensation (aniline blue staining) in the assessment of male fertility.	2001 Mar-Apr	11297072
High-resolution crystal structure of deoxy hemoglobin complexed with a potent allosteric effector.	2001 May	11316875
Diaminodiphenylmethane (DDM): frequency of sensitization, clinical relevance and concomitant positive reactions.	2001 May	11298694
Functional interrelationships in the alkaline phosphatase superfamily: phosphodiesterase activity of Escherichia coli alkaline phosphatase.	2001 May 15	11341834

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

To understand the mechanisms of aniline biodegradation A. baylyi BD413 (formerly termed Acinetobacter sp. or Acinetobacter calcoaceticus) were inoculated into medium containing aniline as the sole carbon source and then cultivated with shaking. BD413 harboring pTB01 completely degraded 0.15 mM aniline within 1 day, as well as additional spikes of aniline administered day by day.

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:09:24 GMT 2023` Edited by `admin` on `Fri Dec 15 18:09:24 GMT 2023`
Record UNII	576R1193YL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANILINE HYDROCHLORIDE

Systematic Name

English

UN-1548

Code

English

ANILINE, HYDROCHLORIDE

Systematic Name

English

PHENYLAMMONIUM CHLORIDE

Systematic Name

English

ANILINE HYDROCHLORIDE [MI]

Common Name

English

BENZENAMINE, HYDROCHLORIDE (1:1)

Systematic Name

English

C.I. 76001

Code

English

PHENYLAMINE HYDROCHLORIDE

Systematic Name

English

UN1548

Code

English

NSC-7910

Code

English

ANILINIUM CHLORIDE

Systematic Name

English

BENZENAMINE, HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

MESH

C023650