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Home Nitriles Diphenylacetonitrile

Diphenylacetonitrile

CAS No.:
86-29-3
Catalog Number:
AG003PPC
Molecular Formula:
C14H11N
Molecular Weight:
193.2438
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$19
- +
100g
97%
In Stock USA
United States
$50
- +
500g
97%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003PPC
Chemical Name:
Diphenylacetonitrile
CAS Number:
86-29-3
Molecular Formula:
C14H11N
Molecular Weight:
193.2438
MDL Number:
MFCD00001862
IUPAC Name:
2,2-diphenylacetonitrile
InChI:
InChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChI Key:
NEBPTMCRLHKPOB-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)c1ccccc1
EC Number:
201-662-5
UNII:
QK4W106TKU
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.089g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.249g/mol
Monoisotopic Mass:
193.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Synthesis and structure-activity relationships of a novel class of dithiocarbamic acid esters as anticancer agent. Archiv der Pharmazie 20110501
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Addition of nitriles to alkaline earth metal complexes of 1,2-bis[(phenyl)imino]acenaphthenes. Chemistry (Weinheim an der Bergstrasse, Germany) 20050919
Properties