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

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

CAS No.:
859850-90-1
Catalog Number:
AG008FVU
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG008FVU
Chemical Name:
3-((4-Methylpiperazin-1-yl)methyl)benzonitrile
CAS Number:
859850-90-1
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD07772861
IUPAC Name:
3-[(4-methylpiperazin-1-yl)methyl]benzonitrile
InChI:
InChI=1S/C13H17N3/c1-15-5-7-16(8-6-15)11-13-4-2-3-12(9-13)10-14/h2-4,9H,5-8,11H2,1H3
InChI Key:
NNYDAONDPGWBRI-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)CN1CCN(CC1)C
Properties
Complexity:
260  
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:
2  
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties