Home Nitriles 3-(4-Methylpiperazin-1-yl)benzonitrile

3-(4-Methylpiperazin-1-yl)benzonitrile

CAS No.:
204078-35-3
Catalog Number:
AG003I54
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$63
- +
5g
97%
In Stock USA
United States
$163
- +
25g
97%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG003I54
Chemical Name:
3-(4-Methylpiperazin-1-yl)benzonitrile
CAS Number:
204078-35-3
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD07368541
IUPAC Name:
3-(4-methylpiperazin-1-yl)benzonitrile
InChI:
InChI=1S/C12H15N3/c1-14-5-7-15(8-6-14)12-4-2-3-11(9-12)10-13/h2-4,9H,5-8H2,1H3
InChI Key:
OLELRAIMBYZQJO-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)N1CCN(CC1)C
Properties
Complexity:
247  
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:
0
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties