2-(Dimethylamino)benzonitrile - CAS 20925-24-0
Catalog: |
BB016427 |
Product Name: |
2-(Dimethylamino)benzonitrile |
CAS: |
20925-24-0 |
Synonyms: |
2-(dimethylamino)benzonitrile; 2-(dimethylamino)benzonitrile |
IUPAC Name: | 2-(dimethylamino)benzonitrile |
Description: | 2-(Dimethylamino)benzonitrile (CAS# 20925-24-0) is a useful research chemical. |
Molecular Weight: | 146.19 |
Molecular Formula: | C9H10N2 |
Canonical SMILES: | CN(C)C1=CC=CC=C1C#N |
InChI: | InChI=1S/C9H10N2/c1-11(2)9-6-4-3-5-8(9)7-10/h3-6H,1-2H3 |
InChI Key: | OEULOFHGYOFYEC-UHFFFAOYSA-N |
Boiling Point: | 256.6 °C at 760 mmHg |
Density: | 1.04 g/cm3 |
MDL: | MFCD01313389 |
LogP: | 1.62428 |
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PMID | Publication Date | Title | Journal |
18447464 | 20080428 | The low-lying pisigma* state and its role in the intramolecular charge transfer of aminobenzonitriles and aminobenzethyne | The Journal of chemical physics |
17249881 | 20070121 | Long-range corrected time-dependent density functional study on fluorescence of 4,4'-dimethylaminobenzonitrile | The Journal of chemical physics |
16913673 | 20060824 | Asymmetric top rotors in electric fields. II. Influence of internal torsions in molecular beam deflection experiments | The journal of physical chemistry. A |
16522115 | 20060315 | The electronic origin of the dual fluorescence in donor-acceptor substituted benzene derivatives | Journal of the American Chemical Society |
15496736 | 20041101 | Experimental requirements for light-induced reactions in powders investigated by time-resolved X-ray diffraction | Journal of synchrotron radiation |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.084398327 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 27 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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Amines and Anilines
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