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Home Nitriles 2-Amino-4,5-dimethoxybenzonitrile

2-Amino-4,5-dimethoxybenzonitrile

CAS No.:
26961-27-3
Catalog Number:
AG003GEH
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$44
- +
25g
95%
In Stock USA
United States
$175
- +
Product Description
Catalog Number:
AG003GEH
Chemical Name:
2-Amino-4,5-dimethoxybenzonitrile
CAS Number:
26961-27-3
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD00058682
IUPAC Name:
2-amino-4,5-dimethoxybenzonitrile
InChI:
InChI=1S/C9H10N2O2/c1-12-8-3-6(5-10)7(11)4-9(8)13-2/h3-4H,11H2,1-2H3
InChI Key:
BJAYMNUBIULRMF-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)c(cc1OC)N
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
6',7'-Dimeth-oxy-1',2'-dihydro-spiro-[cyclo-hexane-1,2'-quinazolin]-4'(3'H)-one. Acta crystallographica. Section E, Structure reports online 20111201
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties