Home Nitriles 3-(pyrrolidin-1-ylmethyl)benzonitrile

3-(pyrrolidin-1-ylmethyl)benzonitrile

CAS No.:
321198-27-0
Catalog Number:
AG019WBZ
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019WBZ
Chemical Name:
3-(pyrrolidin-1-ylmethyl)benzonitrile
CAS Number:
321198-27-0
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD09950280
IUPAC Name:
3-(pyrrolidin-1-ylmethyl)benzonitrile
InChI:
InChI=1S/C12H14N2/c13-9-11-4-3-5-12(8-11)10-14-6-1-2-7-14/h3-5,8H,1-2,6-7,10H2
InChI Key:
AAVUHDFNXPJROH-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)CN1CCCC1
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties