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Home Nitriles 3-(Dimethylamino)benzonitrile

3-(Dimethylamino)benzonitrile

CAS No.:
38803-30-4
Catalog Number:
AG003I7V
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$73
- +
5g
97%
In Stock USA
United States
$263
- +
10g
97%
In Stock USA
United States
$500
- +
25g
97%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG003I7V
Chemical Name:
3-(Dimethylamino)benzonitrile
CAS Number:
38803-30-4
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
MDL Number:
MFCD00159008
IUPAC Name:
3-(dimethylamino)benzonitrile
InChI:
InChI=1S/C9H10N2/c1-11(2)9-5-3-4-8(6-9)7-10/h3-6H,1-2H3
InChI Key:
FEOIEIQLXALHPJ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)N(C)C
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:
1.6  
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
Meta conjugation effect on the torsional motion of aminostilbenes in the photoinduced intramolecular charge-transfer state. Journal of the American Chemical Society 20071031
Asymmetric top rotors in electric fields. II. Influence of internal torsions in molecular beam deflection experiments. The journal of physical chemistry. A 20060824
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
Properties