4-Aminobenzonitrile

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H6N2
Molecular Weight	118.1359
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=CC=C(C=C1)C#N

InChI

InChIKey=YBAZINRZQSAIAY-UHFFFAOYSA-N

InChI=1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2

HIDE SMILES / InChI

Molecular Formula	C7H6N2
Molecular Weight	118.1359
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
N-(4-Cyano-phen-yl)-2,6-difluoro-benzamide.	2010-11-17	21589486
4-Amino-benzoic acid-4,4'-(propane-1,3-diyl)dipyridine (1/1).	2010-10-09	21588953
4-[2-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-yl-idene)hydrazin-1-yl]benzo-nitrile.	2010-06-26	21587996
4-Amino-benzoic acid-1,2-bis-(4-pyrid-yl)ethane (2/1).	2010-06-05	21587796
Investigating the mechanisms of aromatic amine-induced protein free radical formation by quantitative structure-activity relationships: implications for drug-induced agranulocytosis.	2010-05-17	20199096
Self-structured surface patterns on molecular azo glass films induced by laser light irradiation.	2010-05-04	20000616
Aqueous solvation of p-aminobenzonitrile in the excited states: a molecular level theory on density dependence.	2010-01-21	20039664
(E)-4-[4-(Dimethyl-amino)benzyl-ideneamino]benzonitrile.	2009-11-14	21578820
Analysis of N-acetylaminosugars by CE: a comparative derivatization study.	2009-08	19621375
1-(4-Cyano-phenyl-diazen-2-ium-1-yl)-2-naphtholate.	2009-07-29	21583699
Raman spectroscopic study on the solvation of p-aminobenzonitrile in supercritical water and methanol.	2009-04-02	19320516
A new approach to aid the characterisation and identification of metabolites of a model drug; partial isotope enrichment combined with novel formula elucidation software.	2009-01	19089848
Protolytic dissociation of cyanoanilines in the ground and excited state in water and methanol solutions.	2008-11-15	18378186
4-Cyano-anilinium perchlorate.	2008-09-27	21201219
4-(2-Hydroxy-benzyl-idene-amino)-benzonitrile.	2008-06-07	21202830
The low-lying pisigma* state and its role in the intramolecular charge transfer of aminobenzonitriles and aminobenzethyne.	2008-04-28	18447464
4-(4-Hydroxy-phenyl-diazen-yl)-benzonitrile.	2008-02-22	21201952
Triplet state dipole moments of aminobenzonitriles.	2008-02-21	18217728
Capillary electrophoresis of sugar acids.	2008	18392574
Ultrafast relaxation and coherent oscillations in aminobenzonitriles in the gas phase probed by intense-field ionization.	2007-03-14	17325762
Cobaloximes as functional models for hydrogenases. 2. Proton electroreduction catalyzed by difluoroborylbis(dimethylglyoximato)cobalt(II) complexes in organic media.	2007-03-05	17269760
Design and synthesis of an array of selective androgen receptor modulators.	2007-01-09	17206838
Theoretical investigation of luminescence behavior as a function of alkyl chain size in 4-aminobenzonitrile alicyclic derivatives.	2006-10-12	17020256
Recovery of free oligosaccharides from derivatives labeled by reductive amination.	2006-07-01	16701074
Dynamics of ultrafast intramolecular charge transfer with 4-(dimethylamino)benzonitrile in acetonitrile.	2006-03-09	16509618
Pendant bases as proton relays in iron hydride and dihydrogen complexes.	2006-03-08	16506781
Photoproduct formation with 4-aminobenzonitriles in acetonitrile and its effect on photophysical measurements.	2005-12-15	16331905
Reduced flavin: NMR investigation of N5-H exchange mechanism, estimation of ionisation constants and assessment of properties as biological catalyst.	2005-11-25	16309555
Palladium-catalyzed allylation of acidic and less nucleophilic anilines using allylic alcohols directly.	2005-10	16204982
Molybdenum-sulfur dimers as electrocatalysts for the production of hydrogen at low overpotentials.	2005-09-14	16144422
Photophysics of aromatic molecules with low-lying pi sigma* states: excitation-energy dependence of fluorescence in jet-cooled aromatic nitriles.	2005-08-18	16834075
Intramolecular charge transfer in 4-aminobenzonitriles does not necessarily need the twist.	2005-05-18	15884954
Solvent dependence of the spectra and kinetics of excited-state charge transfer in three (alkylamino)benzonitriles.	2005-02-03	16851128
The role of pi sigma* state in intramolecular electron-transfer dynamics of 4-dimethylaminobenzonitrile and related molecules.	2004-08-08	15281842
Intramolecular charge transfer with the planarized 4-aminobenzonitrile 1-tert-butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6).	2004-02-18	14871101
Alkaline degradation kinetics and CE-separation of cello- and xylooligomers. Part I.	2003-05-23	12747863
[Separation of saccharides in tobacco by capillary zone electrophoresis].	2002-05	12541943
[Effect of para-aminobenzoic acid on the growth of Actinomyces viscosus].	2002-04	12575187

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:42:00 GMT 2025` Edited by `admin` on `Mon Mar 31 18:42:00 GMT 2025`
Record UNII	PB8V69Y76T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-7625

Preferred Name

English

4-Aminobenzonitrile

Systematic Name

English

BENZONITRILE, 4-AMINO-

Systematic Name

English

4-Aminobenzenenitrile

Systematic Name

English

BENZONITRILE, P-AMINO-

Systematic Name

English

P-CYANOANILINE

Common Name

English

4-AMINOPHENYLNITRILE

Common Name

English

4-CYANOPHENYLAMINE

Systematic Name

English

P-CYANOPHENYLAMINE

Common Name

English

p-Aminobenzonitrile

Common Name

English

4-CYANOBENZENEAMINE

Systematic Name

English

1-AMINO-4-CYANOBENZENE

Systematic Name

English

4-CYANOBENZENAMINE

Systematic Name

English

4-CYANOANILINE

Systematic Name

English

CYANOANILINE, P-

Common Name

English

Code System Code Type Description

FDA UNII

PB8V69Y76T