26830-96-6 | 2-Amino-4-methylbenzonitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$8.00	$5.00
5g	98%	in stock	$20.00	$14.00
25g	98%	in stock	$84.00	$59.00
100g	98%	in stock	$322.00	$225.00

Description

• Catalog Number: AD18514
• Chemical Name: 2-Amino-4-methylbenzonitrile
• CAS Number: 26830-96-6
• Molecular Formula: C8H8N2
• Molecular Weight: 132.1625
• MDL Number: MFCD00173706
• SMILES: N#Cc1ccc(cc1N)C

Computed Properties

• Complexity: 156
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• XLogP3: 1.6

Literature

• DFT simulations and vibrational analysis of FTIR and FT-Raman spectra of 2-amino-4-methyl benzonitrile.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121001

• Prediction of genotoxicity of chemical compounds by statistical learning methods.

  Chemical research in toxicology 20050601