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Home Nitriles 4-Piperidin-1-ylbenzonitrile

4-Piperidin-1-ylbenzonitrile

CAS No.:
1204-85-9
Catalog Number:
AG0075YW
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$44
- +
5g
98%
In Stock USA
United States
$119
- +
25g
98%
In Stock USA
United States
$357
- +
Product Description
Catalog Number:
AG0075YW
Chemical Name:
4-Piperidin-1-ylbenzonitrile
CAS Number:
1204-85-9
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD02575368
IUPAC Name:
4-piperidin-1-ylbenzonitrile
InChI:
InChI=1S/C12H14N2/c13-10-11-4-6-12(7-5-11)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
InChI Key:
ZEPXHFFGXQFUDP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N1CCCCC1
Properties
Complexity:
214  
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:
1  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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