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1197-19-9 | Benzonitrile, 4-(dimethylamino)-
CAS No: 1197-19-9 Catalog No: AG000PGY MDL No:MFCD00001815
Product Description
Catalog Number:
AG000PGY
Chemical Name:
Benzonitrile, 4-(dimethylamino)-
CAS Number:
1197-19-9
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
MDL Number:
MFCD00001815
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 |
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