Home Nitriles 2-Pyrrolidinobenzonitrile

2-Pyrrolidinobenzonitrile

CAS No.:
20925-25-1
Catalog Number:
AG002K54
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$69
- +
5g
98%
In Stock USA
United States
$235
- +
10g
98%
In Stock USA
United States
$438
- +
25g
98%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG002K54
Chemical Name:
2-Pyrrolidinobenzonitrile
CAS Number:
20925-25-1
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD08435870
IUPAC Name:
2-pyrrolidin-1-ylbenzonitrile
InChI:
InChI=1S/C11H12N2/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-2,5-6H,3-4,7-8H2
InChI Key:
YUKHVYSSBBOQJW-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1N1CCCC1
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Ultrafast temporary charge transfer in pyrrolidinyl-benzonitrile and pyrrolyl-benzonitrile in the gas phase. Faraday discussions 20040101
Properties