METHYLANILINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H9N
Molecular Weight	107.1531
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC1=CC=CC=C1

InChI

InChIKey=AFBPFSWMIHJQDM-UHFFFAOYSA-N

InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3

HIDE SMILES / InChI

Molecular Formula	C7H9N
Molecular Weight	107.1531
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Comparative nephrotoxicity of aspirin and phenacetin derivatives.	1971 Nov 27	5128205
Distinguishing rate-limiting electron versus H-atom transfers in Cu2O2-mediated oxidative N-dealkylations: application of inter- versus intramolecular kinetic isotope effects.	2003 Oct 22	14558790
The combi-targeting concept: chemical dissection of the dual targeting properties of a series of "combi-triazenes".	2003 Sep 25	13678409
Characterization of a strain of Sphingobacterium sp. and its degradation to herbicide mefenacet.	2004	15137667
NIR vibrational overtone spectra of N-methylaniline, N,N-dimethylaniline and N,N-diethylaniline--a conformational structural analysis using local mode model.	2004 Jan	14670498
Thermal, vibrational and EPR studies of Cu(II) bromide bis(p-methylaniline) and bis(m-methylaniline) complexes.	2004 Jan	14670492
Overtone spectra of aniline derivatives.	2004 Jan	14670461
Separation of positional isomers by cucurbit[7]uril-mediated capillary electrophoresis.	2004 Oct	15472950
Acidities of platinum(II) mu-hydroxo complexes bearing diphosphine ligands.	2004 Oct 18	15476378
Influence of the linker in bispyridium compounds on the inhibition of human choline kinase.	2004 Oct 21	15481981
Effect of additives on photodegradation of 1,3,5-trichlorobenzene in aqueous surfactant solutions.	2005	15887570
Synthesis and photophysics of a porphyrin-fullerene dyad assembled through Watson-Crick hydrogen bonding.	2005 Apr 14	15795778
Prediction of genotoxicity of chemical compounds by statistical learning methods.	2005 Jun	15962942
Ionization of aniline and its N-methyl and N-phenyl substituted derivatives by (free) electron transfer to n-butyl chloride parent radical cations.	2005 Jun 2	16833809
Influence of the water molecule on cation-pi interaction: ab initio second order Møller-Plesset perturbation theory (MP2) calculations.	2005 Mar 31	16851648
Facile ring opening of 2,3-epoxy-steroids with aromatic amines in ionic liquids.	2006 Aug	16750547
Direct measurement of the thermodynamics of vinylarene hydroamination.	2006 Jul 26	16848446
Large Raman-scattering activities for the low-frequency modes of substituted benzenes: induced polarizability and stereo-specific ring-substituent interactions.	2006 Mar 14	16542073
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524
N-(substituted-anilinoethyl)amides: design, synthesis, and pharmacological characterization of a new class of melatonin receptor ligands.	2007 Dec 27	18052314
[Preweaning exposure to enriched environment induces hippocampal neurogenesis: experiment with rats].	2007 Jun 12	17785112
Experimental and computational study of the thermochemistry of the fluoromethylaniline isomers.	2007 Jun 14	17518494
Fabrication and testing of planar chalcogenide waveguide integrated microfluidic sensor.	2007 Mar 5	19532465
Influence of the d orbital occupation on the nature and strength of copper cation-pi interactions: threshold collision-induced dissociation and theoretical studies.	2007 Nov 28	17989799
On the energy efficiency of microwave-assisted organic reactions.	2008	18605675
Cyclic nucleotide phosphodiesterase type 4 inhibitors: evaluation of pyrazolo[1,5-a]-1,3,5-triazine ring system as an adenine bioisostere.	2008 Apr	17640774
Cavity-enhanced on-chip absorption spectroscopy using microring resonators.	2008 Aug 4	18679466
2,6-Di-tert-butyl-4-[(N-methyl-anilino)meth-yl]phenol.	2008 Jan 9	21201438
Electrochemical Investigation of oligonucleotide-DNA hybridization on poly(4-methoxyphenethylamine).	2008 Jun	19325797
Comparing the electronic properties and docking calculations of heme derivatives on CYP2B4.	2008 Jun	18478283
Efficient amide-directed catalytic asymmetric hydroboration.	2008 Mar 26	18311977
Dipole effects on cation-pi interactions: absolute bond dissociation energies of complexes of alkali metal cations to N-methylaniline and N,N-dimethylaniline.	2008 Sep 4	18698747
Simultaneous determination of herbicide mefenacet and its metabolites residues in river water by solid phase extraction and rapid resolution liquid chromatography-mass spectrometry with pre-column derivatization.	2009 Apr 10	19223035
Selective monomethylation of anilines by Cu(OAc)2-promoted cross-coupling with MeB(OH)2.	2009 Apr 16	19354317
Direct amination of azoles via catalytic C-H, N-H coupling.	2009 Apr 2	19254040
Glycogen synthase kinase-3 inhibition by 3-anilino-4-phenylmaleimides: insights from 3D-QSAR and docking.	2009 Feb	18839067
Theoretical study of N-dealkylation of N-cyclopropyl-N-methylaniline catalyzed by cytochrome P450: insight into the origin of the regioselectivity.	2009 Jan 14	19089010
FT-IR, FT-Raman vibrational spectra and molecular structure investigation of 2-chloro-4-methylaniline: a combined experimental and theoretical study.	2009 Jun	19213598
Mono- and binuclear complexes of rhodium involving a new series of hemilabile o-phosphinoaniline ligands.	2009 Jun 7	19452072
Fourier transform infrared and FT-Raman spectra, assignment, ab initio, DFT and normal co-ordinate analysis of 2-chloro-4-methylaniline and 2-chloro-6-methylaniline.	2009 Mar	19081287
N-{Bis[meth-yl(phen-yl)amino]phosphor-yl}-2,2,2-trichloro-acetamide.	2009 Oct 23	21578403
Regional intravenous anesthesia in knee arthroscopy.	2010	21049208
1,2-Diphenyl-2-(m-tolyl-amino)ethanone.	2010 Apr 17	21579159
Bis(N-{bis-[meth-yl(phen-yl)amino]phos-phor-yl}-2,2,2-trichloro-acetamide)di-nitrato-dioxidouranium(VI).	2010 Feb 17	21580248
Glycosidase inhibition: assessing mimicry of the transition state.	2010 Jan 21	20066263
N,N-Dimethyl-4-[(2-pyrid-yl)diazen-yl]aniline.	2010 Jul 7	21588253
FTIR and FTRaman spectroscopic investigation of 2-bromo-4-methylaniline using ab initio HF and DFT calculations.	2010 Jun	20335064
Synthesis, characterization and cytotoxicity of iodo-bridged binuclear platinum(II) complexes.	2010 Jun	20153562
Self-structured surface patterns on molecular azo glass films induced by laser light irradiation.	2010 May 4	20000616
Electrochemical degradation of crystal violet with BDD electrodes: effect of electrochemical parameters and identification of organic by-products.	2010 Sep	20709357

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:33:20 GMT 2023` Edited by `admin` on `Sat Dec 16 01:33:20 GMT 2023`
Record UNII	TH45GK410O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYLANILINE

Systematic Name

English

N-PHENYLMETHYLAMINE

Systematic Name

English

METHYLANILINE [MI]

Common Name

English

N-MONOMETHYLANILINE

Systematic Name

English

NSC-3502

Code

English

N-METHYLBENZENAMINE

Systematic Name

English

Code System Code Type Description

PUBCHEM

7515