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Home Nitriles 2-Amino-4,5-dimethyl-3-furancarbonitrile

2-Amino-4,5-dimethyl-3-furancarbonitrile

CAS No.:
5117-88-4
Catalog Number:
AG00D8HA
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$94
- +
5g
95%
In Stock USA
United States
$369
- +
Product Description
Catalog Number:
AG00D8HA
Chemical Name:
2-Amino-4,5-dimethyl-3-furancarbonitrile
CAS Number:
5117-88-4
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD00274264
IUPAC Name:
2-amino-4,5-dimethylfuran-3-carbonitrile
InChI:
InChI=1S/C7H8N2O/c1-4-5(2)10-7(9)6(4)3-8/h9H2,1-2H3
InChI Key:
ACHDPRAJHGRGDC-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)oc(c1C)C
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties