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20925-24-0 | Benzonitrile, 2-(dimethylamino)-
CAS No: 20925-24-0 Catalog No: AG002K55 MDL No:MFCD01313389
Product Description
Catalog Number:
AG002K55
Chemical Name:
Benzonitrile, 2-(dimethylamino)-
CAS Number:
20925-24-0
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
MDL Number:
MFCD01313389
IUPAC Name:
2-(dimethylamino)benzonitrile
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
SMILES:
N#Cc1ccccc1N(C)C
NSC Number:
204964
Properties
Complexity:
166
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:
1.8
Literature
| Title | Journal |
|---|---|
| The low-lying pisigma* state and its role in the intramolecular charge transfer of aminobenzonitriles and aminobenzethyne. | The Journal of chemical physics 20080428 |
| Asymmetric top rotors in electric fields. II. Influence of internal torsions in molecular beam deflection experiments. | The journal of physical chemistry. A 20060824 |
| Experimental requirements for light-induced reactions in powders investigated by time-resolved X-ray diffraction. | Journal of synchrotron radiation 20041101 |
| 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 |
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