Home Nitriles 4-(Piperazin-1-ylmethyl)benzonitrile

4-(Piperazin-1-ylmethyl)benzonitrile

CAS No.:
89292-70-6
Catalog Number:
AG0040UO
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$207
- +
10g
98%
In Stock USA
United States
$369
- +
25g
98%
In Stock USA
United States
$853
- +
Product Description
Catalog Number:
AG0040UO
Chemical Name:
4-(Piperazin-1-ylmethyl)benzonitrile
CAS Number:
89292-70-6
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD04972584
IUPAC Name:
4-(piperazin-1-ylmethyl)benzonitrile
InChI:
InChI=1S/C12H15N3/c13-9-11-1-3-12(4-2-11)10-15-7-5-14-6-8-15/h1-4,14H,5-8,10H2
InChI Key:
RPOOHOJBILYQET-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CN1CCNCC1
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
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