Home Nitriles Benzonitrile, 2-(1-piperazinylmethyl)-

Benzonitrile, 2-(1-piperazinylmethyl)-

CAS No.:
174609-74-6
Catalog Number:
AG001ZSH
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$151
- +
5g
98%(HPLC)
In Stock USA
United States
$421
- +
Product Description
Catalog Number:
AG001ZSH
Chemical Name:
Benzonitrile, 2-(1-piperazinylmethyl)-
CAS Number:
174609-74-6
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD04972582
IUPAC Name:
2-(piperazin-1-ylmethyl)benzonitrile
InChI:
InChI=1S/C12H15N3/c13-9-11-3-1-2-4-12(11)10-15-7-5-14-6-8-15/h1-4,14H,5-8,10H2
InChI Key:
DVUNFWADPIWIAY-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CN1CCNCC1
Properties
Complexity:
237  
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  
Properties