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Home Nitriles 6-(1,4-Diazepan-1-yl)nicotinonitrile

6-(1,4-Diazepan-1-yl)nicotinonitrile

CAS No.:
683274-59-1
Catalog Number:
AG006472
Molecular Formula:
C11H14N4
Molecular Weight:
202.2557
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$142
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5g
1 week
United States
$437
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Product Description
Catalog Number:
AG006472
Chemical Name:
6-(1,4-Diazepan-1-yl)nicotinonitrile
CAS Number:
683274-59-1
Molecular Formula:
C11H14N4
Molecular Weight:
202.2557
MDL Number:
MFCD01567269
IUPAC Name:
6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C11H14N4/c12-8-10-2-3-11(14-9-10)15-6-1-4-13-5-7-15/h2-3,9,13H,1,4-7H2
InChI Key:
AWTOGESBXYCVMV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)N1CCNCCC1
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.122g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.261g/mol
Monoisotopic Mass:
202.122g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties