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Home Nitriles 4-Pyrrolidiobenzonitrile

4-Pyrrolidiobenzonitrile

CAS No.:
10282-30-1
Catalog Number:
AG007J5X
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$75
- +
25g
98%
In Stock USA
United States
$275
- +
Product Description
Catalog Number:
AG007J5X
Chemical Name:
4-Pyrrolidiobenzonitrile
CAS Number:
10282-30-1
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD07368512
IUPAC Name:
4-pyrrolidin-1-ylbenzonitrile
InChI:
InChI=1S/C11H12N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h3-6H,1-2,7-8H2
InChI Key:
ZNMSYUCZLWETII-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N1CCCC1
Properties
Complexity:
201  
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:
3.3  
Literature
Title Journal
Electrolyte-concentration and ion-size dependence of excited-state intramolecular charge-transfer reaction in (alkylamino)benzonitriles: steady-state spectroscopic studies. The journal of physical chemistry. A 20071115
Electrolyte-concentration and ion-size dependence of excited-state intramolecular charge-transfer reaction in (alkylamino)benzonitriles: time-resolved fluorescence emission studies. The journal of physical chemistry. A 20071115
Solvent dependence of the spectra and kinetics of excited-state charge transfer in three (alkylamino)benzonitriles. The journal of physical chemistry. B 20050203
Properties