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Home Nitriles 2-(4-Benzylpiperazin-1-yl)acetonitrile

2-(4-Benzylpiperazin-1-yl)acetonitrile

CAS No.:
92042-93-8
Catalog Number:
AG0061K7
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$125
- +
1g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG0061K7
Chemical Name:
2-(4-Benzylpiperazin-1-yl)acetonitrile
CAS Number:
92042-93-8
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD00078192
IUPAC Name:
2-(4-benzylpiperazin-1-yl)acetonitrile
InChI:
InChI=1S/C13H17N3/c14-6-7-15-8-10-16(11-9-15)12-13-4-2-1-3-5-13/h1-5H,7-12H2
InChI Key:
ATUPEPBRQNHPDY-UHFFFAOYSA-N
SMILES:
N#CCN1CCN(CC1)Cc1ccccc1
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.142g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.3g/mol
Monoisotopic Mass:
215.142g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Synthesis, characterization and in vitro biological studies of novel cyano derivatives of N-alkyl and N-aryl piperazine. European journal of medicinal chemistry 20070401
Properties