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

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$48.00	$33.00
1g	95%	in stock	$58.00	$40.00
4g	95%	in stock	$172.00	$120.00
5g	95%	in stock	$176.00	$123.00
25g	95%	in stock	$584.00	$409.00
100g	95%	in stock	$1,761.00	$1,233.00

Description

• Catalog Number: AB63379
• 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

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

• 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