Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C9H10N2 |
| Molecular Weight | 146.1891 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(C)C1=CC=C(C=C1)C#N
InChI
InChIKey=JYMNQRQQBJIMCV-UHFFFAOYSA-N
InChI=1S/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3
| Molecular Formula | C9H10N2 |
| Molecular Weight | 146.1891 |
| 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 |
|---|---|---|
| Pentacyano-N,N-dimethylaniline in the excited state. Only locally excited state emission, in spite of the large electron affinity of the pentacyanobenzene subgroup. | 2010-12-23 |
|
| Probing the charge transfer reaction coordinate of 4-(dimethylamino)benzonitrile with femtosecond stimulated Raman spectroscopy. | 2010-11-18 |
|
| Excitation wavelength dependence of dual fluorescence of DMABN in polar solvents. | 2010-11 |
|
| A ratiometric TICT-type dual fluorescent sensor for an amino acid. | 2010-07-07 |
|
| 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. | 2010-06-09 |
|
| 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. | 2010-02-11 |
|
| 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. | 2009-12-14 |
|
| Excited state surfaces in density functional theory: a new twist on an old problem. | 2009-09-07 |
|
| Do fluorescence and transient absorption probe the same intramolecular charge transfer state of 4-(dimethylamino)benzonitrile? | 2009-07-21 |
|
| TDDFT diagnostic testing and functional assessment for triazene chromophores. | 2009-06-14 |
|
| Counterintuitive absence of an excited-state intramolecular charge transfer reaction with 2,4,6-tricyanoanilines. Experimental and computational results. | 2009-03-26 |
|
| [Solid states fluorescence study of p-dimethylaminobenzonitrile by co-grinding with cyclodextrins]. | 2009-02 |
|
| Time-dependent density functional theory study on hydrogen-bonded intramolecular charge-transfer excited state of 4-dimethylamino-benzonitrile in methanol. | 2008-09 |
|
| Tuning dual emission behavior of p-dialkylaminobenzonitriles by supramolecular interactions with cyclodextrin hosts. | 2008-08 |
|
| Integrated approach for modeling the emission fluorescence of 4-(N,N-dimethylamino)benzonitrile in polar environments. | 2008-07-10 |
|
| 4-(Dimethyl-amino)benzaldehyde. | 2008-06-07 |
|
| Ultrafast intramolecular charge transfer with strongly twisted aminobenzonitriles: 4-(di-tert-butylamino)benzonitrile and 3-(di-tert-butylamino)benzonitrile. | 2008-04-03 |
|
| Triplet state dipole moments of aminobenzonitriles. | 2008-02-21 |
|
| Efficient singlet-state deactivation of cyano-substituted indolines in protic solvents via CN--HO hydrogen bonds. | 2007-12-21 |
|
| Dynamics of ultrafast intramolecular charge transfer with 1-tert-butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) in n-hexane and acetonitrile. | 2007-12-20 |
|
| 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. | 2007-09 |
|
| 4-N-Methyl-N'-(2-dihydroxyboryl-benzyl)amino benzonitrile and its boronate analogue sensing saccharides and fluoride ion. | 2007-05-01 |
|
| Ultrafast relaxation and coherent oscillations in aminobenzonitriles in the gas phase probed by intense-field ionization. | 2007-03-14 |
|
| Theoretical investigation of luminescence behavior as a function of alkyl chain size in 4-aminobenzonitrile alicyclic derivatives. | 2006-10-12 |
|
| Determination of Kamlet-Taft solvent parameters pi* of high pressure and supercritical water by the UV-Vis absorption spectral shift of 4-nitroanisole. | 2006-05-21 |
|
| Dynamics of ultrafast intramolecular charge transfer with 4-(dimethylamino)benzonitrile in acetonitrile. | 2006-03-09 |
|
| 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. | 2006-03-07 |
|
| Luminescence properties of dual fluorescent pyrene derivatives used as DNA probe molecule. | 2006 |
|
| Photoproduct formation with 4-aminobenzonitriles in acetonitrile and its effect on photophysical measurements. | 2005-12-15 |
|
| Theoretical study on the photochemical behavior of 4-(dimethylamino)benzonitrile. | 2005-08-18 |
|
| Photophysics of aromatic molecules with low-lying pi sigma* states: excitation-energy dependence of fluorescence in jet-cooled aromatic nitriles. | 2005-08-18 |
|
| Intramolecular charge-transfer state formation of 4-(N,N-dimethylamino)benzonitrile in acetonitrile solution: RISM-SCF study. | 2005-06-23 |
|
| Intramolecular charge transfer in 4-aminobenzonitriles does not necessarily need the twist. | 2005-05-18 |
|
| Theoretical study of photoinduced singlet and triplet excited states of 4-dimethylaminobenzonitrile and its derivatives. | 2005-05-15 |
|
| Electronic and vibrational spectra of the low-lying pisigma* state of 4-dimethylaminobenzonitrile: comparison of theoretical predictions with experiment. | 2005-03-15 |
|
| The role of pi sigma* state in intramolecular electron-transfer dynamics of 4-dimethylaminobenzonitrile and related molecules. | 2004-08-08 |
|
| On the nature of the low-lying singlet states of 4-(Dimethyl-amino)benzonitrile. | 2004-06-16 |
|
| Intramolecular charge transfer with the planarized 4-aminobenzonitrile 1-tert-butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6). | 2004-02-18 |
|
| Photoinduced intramolecular charge transfer in 4-(dimethyl)aminobenzonitrile--a theoretical perspective. | 2004-02-04 |
|
| Direct observation of a hydrogen-bonded charge-transfer state of 4-dimethylaminobenzonitrile in methanol by time-resolved IR spectroscopy. | 2003-04-25 |
|
| Singlet excited state dipole moments of dual fluorescent N-phenylpyrroles and 4-(dimethylamino)benzonitrile from solvatochromic and thermochromic spectral shifts. | 2003-03 |
|
| Microenvironmental effects in the excited state properties of p-dimethylaminobenzonitrile complexed to alpha- and beta-cyclodextrin. | 2003-03 |
|
| Time-dependent density functional theory (TDDFT) study of the excited charge-transfer state formation of a series of aromatic donor-acceptor systems. | 2003-01-08 |
|
| Ultrafast charge transfer via a conical intersection in dimethylaminobenzonitrile. | 2002-04 |
|
| An experimental test of C-N bond twisting in the TICT state: syn-anti photoisomerization in 2-(N-methyl-N-isopropylamino)-5-cyanopyridine. | 2002-03-20 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:44:11 GMT 2025
by
admin
on
Mon Mar 31 18:44:11 GMT 2025
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| Record UNII |
8391XON0MF
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| Record Status |
Validated (UNII)
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| Record Version |
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