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Home Nitriles Propanedinitrile,2,2'-(1,4-cyclohexanediylidene)bis-

Propanedinitrile,2,2'-(1,4-cyclohexanediylidene)bis-

CAS No.:
1518-15-6
Catalog Number:
AG007WTN
Molecular Formula:
C12H8N4
Molecular Weight:
208.2187
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
98%(HPLCGC)
In Stock USA
United States
$155
- +
50mg
95%
In Stock USA
United States
$159
- +
1g
98%(HPLCGC)
In Stock USA
United States
$1261
- +
Product Description
Catalog Number:
AG007WTN
Chemical Name:
Propanedinitrile,2,2'-(1,4-cyclohexanediylidene)bis-
CAS Number:
1518-15-6
Molecular Formula:
C12H8N4
Molecular Weight:
208.2187
MDL Number:
MFCD00043480
IUPAC Name:
2-[4-(dicyanomethylidene)cyclohexylidene]propanedinitrile
InChI:
InChI=1S/C12H8N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h1-4H2
InChI Key:
NXQNMVFWIRBUHX-UHFFFAOYSA-N
SMILES:
N#CC(=C1CCC(=C(C#N)C#N)CC1)C#N
EC Number:
216-173-2
NSC Number:
57669
Properties
Complexity:
466  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.075g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.224g/mol
Monoisotopic Mass:
208.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
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