Home Nitriles 4-(Dimethylamino)benzonitrile

4-(Dimethylamino)benzonitrile

CAS No.:
1197-19-9
Catalog Number:
AG000PGY
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$23
- +
25g
98%
In Stock USA
United States
$70
- +
100g
98%
In Stock USA
United States
$175
- +
Product Description
Catalog Number:
AG000PGY
Chemical Name:
4-(Dimethylamino)benzonitrile
CAS Number:
1197-19-9
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
MDL Number:
MFCD14706514
IUPAC Name:
4-(dimethylamino)benzonitrile
InChI:
InChI=1S/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3
InChI Key:
JYMNQRQQBJIMCV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N(C)C
EC Number:
214-819-8
UNII:
8391XON0MF
NSC Number:
409122
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.084g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.193g/mol
Monoisotopic Mass:
146.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
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
Properties