Home Nitriles 4-Aminobenzonitrile

4-Aminobenzonitrile

CAS No.:
873-74-5
Catalog Number:
AG00340L
Molecular Formula:
C7H6N2
Molecular Weight:
118.1359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$18
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00340L
Chemical Name:
4-Aminobenzonitrile
CAS Number:
873-74-5
Molecular Formula:
C7H6N2
Molecular Weight:
118.1359
MDL Number:
MFCD00007821
IUPAC Name:
4-aminobenzonitrile
InChI:
InChI=1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2
InChI Key:
YBAZINRZQSAIAY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N
EC Number:
212-850-1
UNII:
PB8V69Y76T
NSC Number:
7625
Properties
Complexity:
125  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.053g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
118.139g/mol
Monoisotopic Mass:
118.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Solute-solvent hydrogen-bonding in room temperature ionic liquids studied by Raman spectroscopy. Physical chemistry chemical physics : PCCP 20121021
4-Cyano-anilinium bromide. Acta crystallographica. Section E, Structure reports online 20121001
4-Cyano-anilinium iodide. Acta crystallographica. Section E, Structure reports online 20120901
Preparation of a family of hexanuclear rhenium cluster complexes containing 5-(phenyl)tetrazol-2-yl ligands and alkylation of 5-substituted tetrazolate ligands. Inorganic chemistry 20120716
2-(4-Amino-phen-yl)-3,4,5,6-tetra-hydro-pyrimidin-1-ium chloride. Acta crystallographica. Section E, Structure reports online 20120501
(E)-4-[(4-Diethyl-amino-2-hy-droxy-benzyl-idene)amino]-benzonitrile. Acta crystallographica. Section E, Structure reports online 20120301
Imidazolines as non-classical bioisosteres of N-acyl homoserine lactones and quorum sensing inhibitors. International journal of molecular sciences 20120101
Microwave assisted synthesis and determination of in-vitro antimicrobial efficacy of well characterized s-triazinyl piperazines and piperidines. Acta poloniae pharmaceutica 20120101
Bis[2-(4-amino-phen-yl)-4,5-dihydro-1H-imidazol-3-ium] dichloride monohydrate. Acta crystallographica. Section E, Structure reports online 20111201
Incorporating peptides in the outer-coordination sphere of bioinspired electrocatalysts for hydrogen production. Inorganic chemistry 20110502
N-(4-Cyano-phen-yl)-2,6-difluoro-benzamide. Acta crystallographica. Section E, Structure reports online 20101201
4-Amino-benzoic acid-4,4'-(propane-1,3-diyl)dipyridine (1/1). Acta crystallographica. Section E, Structure reports online 20101101
4-Amino-benzoic acid-1,2-bis-(4-pyrid-yl)ethane (2/1). Acta crystallographica. Section E, Structure reports online 20100701
4-[2-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-yl-idene)hydrazin-1-yl]benzo-nitrile. Acta crystallographica. Section E, Structure reports online 20100701
Investigating the mechanisms of aromatic amine-induced protein free radical formation by quantitative structure-activity relationships: implications for drug-induced agranulocytosis. Chemical research in toxicology 20100517
Self-structured surface patterns on molecular azo glass films induced by laser light irradiation. Langmuir : the ACS journal of surfaces and colloids 20100504
Aqueous solvation of p-aminobenzonitrile in the excited states: a molecular level theory on density dependence. The journal of physical chemistry. B 20100121
(E)-4-[4-(Dimethyl-amino)benzyl-ideneamino]benzonitrile. Acta crystallographica. Section E, Structure reports online 20091201
Analysis of N-acetylaminosugars by CE: a comparative derivatization study. Electrophoresis 20090801
1-(4-Cyano-phenyl-diazen-2-ium-1-yl)-2-naphtholate. Acta crystallographica. Section E, Structure reports online 20090801
Raman spectroscopic study on the solvation of p-aminobenzonitrile in supercritical water and methanol. The journal of physical chemistry. A 20090402
A new approach to aid the characterisation and identification of metabolites of a model drug; partial isotope enrichment combined with novel formula elucidation software. Rapid communications in mass spectrometry : RCM 20090101
Protolytic dissociation of cyanoanilines in the ground and excited state in water and methanol solutions. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081115
4-Cyano-anilinium perchlorate. Acta crystallographica. Section E, Structure reports online 20081001
4-(2-Hydroxy-benzyl-idene-amino)-benzonitrile. Acta crystallographica. Section E, Structure reports online 20080701
The low-lying pisigma* state and its role in the intramolecular charge transfer of aminobenzonitriles and aminobenzethyne. The Journal of chemical physics 20080428
4-(4-Hydroxy-phenyl-diazen-yl)-benzonitrile. Acta crystallographica. Section E, Structure reports online 20080301
Triplet state dipole moments of aminobenzonitriles. The journal of physical chemistry. A 20080221
Capillary electrophoresis of sugar acids. Methods in molecular biology (Clifton, N.J.) 20080101
Ultrafast relaxation and coherent oscillations in aminobenzonitriles in the gas phase probed by intense-field ionization. Physical chemistry chemical physics : PCCP 20070314
Cobaloximes as functional models for hydrogenases. 2. Proton electroreduction catalyzed by difluoroborylbis(dimethylglyoximato)cobalt(II) complexes in organic media. Inorganic chemistry 20070305
Design and synthesis of an array of selective androgen receptor modulators. Journal of combinatorial chemistry 20070101
Theoretical investigation of luminescence behavior as a function of alkyl chain size in 4-aminobenzonitrile alicyclic derivatives. The journal of physical chemistry. A 20061012
Recovery of free oligosaccharides from derivatives labeled by reductive amination. Analytical biochemistry 20060701
Dynamics of ultrafast intramolecular charge transfer with 4-(dimethylamino)benzonitrile in acetonitrile. The journal of physical chemistry. A 20060309
Pendant bases as proton relays in iron hydride and dihydrogen complexes. Journal of the American Chemical Society 20060308
Photoproduct formation with 4-aminobenzonitriles in acetonitrile and its effect on photophysical measurements. The journal of physical chemistry. A 20051215
Palladium-catalyzed allylation of acidic and less nucleophilic anilines using allylic alcohols directly. Chemical & pharmaceutical bulletin 20051001
Molybdenum-sulfur dimers as electrocatalysts for the production of hydrogen at low overpotentials. Journal of the American Chemical Society 20050914
Photophysics of aromatic molecules with low-lying pi sigma* states: excitation-energy dependence of fluorescence in jet-cooled aromatic nitriles. The journal of physical chemistry. A 20050818
Intramolecular charge transfer in 4-aminobenzonitriles does not necessarily need the twist. Journal of the American Chemical Society 20050518
Solvent dependence of the spectra and kinetics of excited-state charge transfer in three (alkylamino)benzonitriles. The journal of physical chemistry. B 20050203
Reduced flavin: NMR investigation of N5-H exchange mechanism, estimation of ionisation constants and assessment of properties as biological catalyst. BMC biochemistry 20050101
The role of pi sigma* state in intramolecular electron-transfer dynamics of 4-dimethylaminobenzonitrile and related molecules. The Journal of chemical physics 20040808
Intramolecular charge transfer with the planarized 4-aminobenzonitrile 1-tert-butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6). Journal of the American Chemical Society 20040218
Alkaline degradation kinetics and CE-separation of cello- and xylooligomers. Part I. Carbohydrate research 20030523
[Separation of saccharides in tobacco by capillary zone electrophoresis]. Se pu = Chinese journal of chromatography 20020501
[Effect of para-aminobenzoic acid on the growth of Actinomyces viscosus]. Hua xi yi ke da xue xue bao = Journal of West China University of Medical Sciences = Huaxi yike daxue xuebao 20020401
[Spectral analysis on self-assembly ultrathin film of polyaminobenzonitrile]. Guang pu xue yu guang pu fen xi = Guang pu 20010401
Properties