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Home Nitriles 2-Amino-4-methylbenzonitrile

2-Amino-4-methylbenzonitrile

CAS No.:
26830-96-6
Catalog Number:
AG006TX6
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$38
- +
25g
98%
In Stock USA
United States
$125
- +
100g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG006TX6
Chemical Name:
2-Amino-4-methylbenzonitrile
CAS Number:
26830-96-6
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
MDL Number:
MFCD00173706
IUPAC Name:
2-amino-4-methylbenzonitrile
InChI:
InChI=1S/C8H8N2/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,10H2,1H3
InChI Key:
LGNVAEIITHYWCG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1N)C
EC Number:
248-020-0
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.069g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
132.166g/mol
Monoisotopic Mass:
132.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
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
Properties