Home Nitriles 5-Methyl-2-piperazinobenzonitrile, tech grade

5-Methyl-2-piperazinobenzonitrile, tech grade

CAS No.:
1211529-31-5
Catalog Number:
AG0080NV
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
90%
In Stock USA
United States
$100
- +
5g
90%
In Stock USA
United States
$300
- +
10g
90%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG0080NV
Chemical Name:
5-Methyl-2-piperazinobenzonitrile, tech grade
CAS Number:
1211529-31-5
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD18311876
IUPAC Name:
5-methyl-2-piperazin-1-ylbenzonitrile
InChI:
InChI=1S/C12H15N3/c1-10-2-3-12(11(8-10)9-13)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3
InChI Key:
NLEPTNIELHABDX-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)ccc1N1CCNCC1
Properties
Complexity:
249  
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:
1  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties