1197-19-9 | 4-(Dimethylamino)benzonitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$9.00	$6.00
5g	98%	in stock	$23.00	$16.00
25g	98%	in stock	$48.00	$34.00
100g	98%	in stock	$191.00	$134.00

Description

• Catalog Number: AA32810
• Chemical Name: 4-(Dimethylamino)benzonitrile
• CAS Number: 1197-19-9
• Molecular Formula: C9H10N2
• Molecular Weight: 146.1891
• MDL Number: MFCD14706514
• SMILES: N#Cc1ccc(cc1)N(C)C
• NSC Number: 409122

Computed Properties

• Complexity: 158
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 2.2

Literature

• Multimode charge-transfer dynamics of 4-(dimethylamino)benzonitrile probed with ultraviolet femtosecond stimulated Raman spectroscopy.

  The journal of physical chemistry. B 20120906

• Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.

  The journal of physical chemistry. A 20111013

• Intramolecular charge transfer and dual fluorescence of 4-(dimethylamino)benzonitrile: ultrafast branching followed by a two-fold decay mechanism.

  Physical chemistry chemical physics : PCCP 20110907

• The role of the πσ* state in intramolecular charge transfer of 4-(dimethylamino)benzonitrile.

  Physical chemistry chemical physics : PCCP 20110421

• The effect of the complexation of p-N,N-dimethylaminobenzoic acid and p-N,N-dimethylaminobenzonitrile with LaCl3 on spectral-luminescent parameters of fluorophores.

  Journal of fluorescence 20110301

• Molecular states of p-dimethylaminobenzonitrile coground with β-cyclodextrin investigated using solid-state fluorescence spectroscopy.

  Chemical & pharmaceutical bulletin 20110101

• Pentacyano-N,N-dimethylaniline in the excited state. Only locally excited state emission, in spite of the large electron affinity of the pentacyanobenzene subgroup.

  The journal of physical chemistry. A 20101223

• Probing the charge transfer reaction coordinate of 4-(dimethylamino)benzonitrile with femtosecond stimulated Raman spectroscopy.

  The journal of physical chemistry. B 20101118

• Excitation wavelength dependence of dual fluorescence of DMABN in polar solvents.

  Journal of fluorescence 20101101

• A ratiometric TICT-type dual fluorescent sensor for an amino acid.

  Physical chemistry chemical physics : PCCP 20100707

• Intramolecular charge transfer with 1-tert-butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and other aminobenzonitriles. A comparison of experimental vapor phase spectra and crystal structures with calculations.

  Journal of the American Chemical Society 20100609

• Fluorescence response of 4-(N,N'-dimethylamino)benzonitrile in room temperature ionic liquids: observation of photobleaching under mild excitation condition and multiphoton confocal microscopic study of the fluorescence recovery dynamics.

  The journal of physical chemistry. B 20100211

• Intramolecular charge transfer of 4-(dimethylamino)benzonitrile probed by time-resolved fluorescence and transient absorption: No evidence for two ICT states and a pisigma( *) reaction intermediate.

  The Journal of chemical physics 20091214

• Excited state surfaces in density functional theory: a new twist on an old problem.

  The Journal of chemical physics 20090907

• Do fluorescence and transient absorption probe the same intramolecular charge transfer state of 4-(dimethylamino)benzonitrile?

  The Journal of chemical physics 20090721

• TDDFT diagnostic testing and functional assessment for triazene chromophores.

  Physical chemistry chemical physics : PCCP 20090614

• Counterintuitive absence of an excited-state intramolecular charge transfer reaction with 2,4,6-tricyanoanilines. Experimental and computational results.

  The journal of physical chemistry. A 20090326

• [Solid states fluorescence study of p-dimethylaminobenzonitrile by co-grinding with cyclodextrins].

  Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20090201

• Time-dependent density functional theory study on hydrogen-bonded intramolecular charge-transfer excited state of 4-dimethylamino-benzonitrile in methanol.

  Journal of computational chemistry 20080901

• Tuning dual emission behavior of p-dialkylaminobenzonitriles by supramolecular interactions with cyclodextrin hosts.

  Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20080801

• Integrated approach for modeling the emission fluorescence of 4-(N,N-dimethylamino)benzonitrile in polar environments.

  The journal of physical chemistry. B 20080710

• 4-(Dimethyl-amino)benzaldehyde.

  Acta crystallographica. Section E, Structure reports online 20080701

• Ultrafast intramolecular charge transfer with strongly twisted aminobenzonitriles: 4-(di-tert-butylamino)benzonitrile and 3-(di-tert-butylamino)benzonitrile.

  The journal of physical chemistry. A 20080403

• Triplet state dipole moments of aminobenzonitriles.

  The journal of physical chemistry. A 20080221

• Efficient singlet-state deactivation of cyano-substituted indolines in protic solvents via CN--HO hydrogen bonds.

  Chemphyschem : a European journal of chemical physics and physical chemistry 20071221

• Dynamics of ultrafast intramolecular charge transfer with 1-tert-butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) in n-hexane and acetonitrile.

  The journal of physical chemistry. A 20071220

• Solvent effects on the charge transfer excited states of 4-dimethylaminobenzonitrile (DMABN) and 4-dimethylamino-3,5-dimethylbenzonitrile (TMABN) studied by time-resolved infrared spectroscopy: a direct observation of hydrogen bonding interactions.

  Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20070901

• 4-N-Methyl-N'-(2-dihydroxyboryl-benzyl)amino benzonitrile and its boronate analogue sensing saccharides and fluoride ion.

  Bioorganic & medicinal chemistry letters 20070501

• Ultrafast relaxation and coherent oscillations in aminobenzonitriles in the gas phase probed by intense-field ionization.

  Physical chemistry chemical physics : PCCP 20070314

• Theoretical investigation of luminescence behavior as a function of alkyl chain size in 4-aminobenzonitrile alicyclic derivatives.

  The journal of physical chemistry. A 20061012

• Determination of Kamlet-Taft solvent parameters pi* of high pressure and supercritical water by the UV-Vis absorption spectral shift of 4-nitroanisole.

  Physical chemistry chemical physics : PCCP 20060521

• Dynamics of ultrafast intramolecular charge transfer with 4-(dimethylamino)benzonitrile in acetonitrile.

  The journal of physical chemistry. A 20060309

• Geometries and properties of excited states in the gas phase and in solution: theory and application of a time-dependent density functional theory polarizable continuum model.

  The Journal of chemical physics 20060307

• Luminescence properties of dual fluorescent pyrene derivatives used as DNA probe molecule.

  Nucleic acids symposium series (2004) 20060101

• Photoproduct formation with 4-aminobenzonitriles in acetonitrile and its effect on photophysical measurements.

  The journal of physical chemistry. A 20051215

• 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

• Theoretical study on the photochemical behavior of 4-(dimethylamino)benzonitrile.

  The journal of physical chemistry. A 20050818

• Intramolecular charge-transfer state formation of 4-(N,N-dimethylamino)benzonitrile in acetonitrile solution: RISM-SCF study.

  The journal of physical chemistry. A 20050623

• Intramolecular charge transfer in 4-aminobenzonitriles does not necessarily need the twist.

  Journal of the American Chemical Society 20050518

• Theoretical study of photoinduced singlet and triplet excited states of 4-dimethylaminobenzonitrile and its derivatives.

  The Journal of chemical physics 20050515

• Electronic and vibrational spectra of the low-lying pisigma* state of 4-dimethylaminobenzonitrile: comparison of theoretical predictions with experiment.

  The Journal of chemical physics 20050315

• The role of pi sigma* state in intramolecular electron-transfer dynamics of 4-dimethylaminobenzonitrile and related molecules.

  The Journal of chemical physics 20040808

• On the nature of the low-lying singlet states of 4-(Dimethyl-amino)benzonitrile.

  Journal of the American Chemical Society 20040616

• 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

• Photoinduced intramolecular charge transfer in 4-(dimethyl)aminobenzonitrile--a theoretical perspective.

  Journal of the American Chemical Society 20040204

• Direct observation of a hydrogen-bonded charge-transfer state of 4-dimethylaminobenzonitrile in methanol by time-resolved IR spectroscopy.

  Angewandte Chemie (International ed. in English) 20030425

• Microenvironmental effects in the excited state properties of p-dimethylaminobenzonitrile complexed to alpha- and beta-cyclodextrin.

  Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20030301

• Singlet excited state dipole moments of dual fluorescent N-phenylpyrroles and 4-(dimethylamino)benzonitrile from solvatochromic and thermochromic spectral shifts.

  Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20030301

• Time-dependent density functional theory (TDDFT) study of the excited charge-transfer state formation of a series of aromatic donor-acceptor systems.

  Journal of the American Chemical Society 20030108

• Ultrafast charge transfer via a conical intersection in dimethylaminobenzonitrile.

  Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20020401

• An experimental test of C-N bond twisting in the TICT state: syn-anti photoisomerization in 2-(N-methyl-N-isopropylamino)-5-cyanopyridine.

  Journal of the American Chemical Society 20020320