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Home Nitriles 3-[4-(4-fluorophenyl)piperazino]-3-iminopropanenitrile

3-[4-(4-fluorophenyl)piperazino]-3-iminopropanenitrile

CAS No.:
338422-34-7
Catalog Number:
AG00I6O5
Molecular Formula:
C13H15FN4
Molecular Weight:
246.2834
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Product Description
Catalog Number:
AG00I6O5
Chemical Name:
3-[4-(4-fluorophenyl)piperazino]-3-iminopropanenitrile
CAS Number:
338422-34-7
Molecular Formula:
C13H15FN4
Molecular Weight:
246.2834
MDL Number:
MFCD00664760
IUPAC Name:
3-[4-(4-fluorophenyl)piperazin-1-yl]-3-iminopropanenitrile
InChI:
InChI=1S/C13H15FN4/c14-11-1-3-12(4-2-11)17-7-9-18(10-8-17)13(16)5-6-15/h1-4,16H,5,7-10H2
InChI Key:
ACRCBHGQGICMJH-UHFFFAOYSA-N
SMILES:
N#CCC(=N)N1CCN(CC1)c1ccc(cc1)F
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.128g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.289g/mol
Monoisotopic Mass:
246.128g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
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