Home Amines 38803-30-4
38803-30-4,MFCD00159008
Catalog No.:AA003I53

38803-30-4 | 3-(Dimethylamino)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$55.00   $39.00
- +
1g
97%
in stock  
$70.00   $49.00
- +
5g
97%
in stock  
$198.00   $139.00
- +
10g
97%
in stock  
$378.00   $264.00
- +
25g
97%
in stock  
$623.00   $437.00
- +
100g
97%
in stock  
$1,883.00   $1,318.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003I53
Chemical Name:
3-(Dimethylamino)benzonitrile
CAS Number:
38803-30-4
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
MDL Number:
MFCD00159008
SMILES:
N#Cc1cccc(c1)N(C)C
Properties
Properties
 
BP:
254.4°C at 760 mmHg  
Form:
Liquid  
MP:
27 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
166  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.6  

Literature

Title: The low-lying pisigma* state and its role in the intramolecular charge transfer of aminobenzonitriles and aminobenzethyne.

Journal: The Journal of chemical physics 20080428

Title: Meta conjugation effect on the torsional motion of aminostilbenes in the photoinduced intramolecular charge-transfer state.

Journal: Journal of the American Chemical Society 20071031

Title: Asymmetric top rotors in electric fields. II. Influence of internal torsions in molecular beam deflection experiments.

Journal: The journal of physical chemistry. A 20060824

Title: Time-dependent density functional theory (TDDFT) study of the excited charge-transfer state formation of a series of aromatic donor-acceptor systems.

Journal: Journal of the American Chemical Society 20030108

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Tags:38803-30-4 Molecular Formula|38803-30-4 MDL|38803-30-4 SMILES|38803-30-4 3-(Dimethylamino)benzonitrile