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2286-54-6,MFCD00129747
Catalog No.:AA003IB2
2286-54-6 | 3,3-Diphenylpropionitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$22.00   $15.00
- +
5g
98%
in stock  
$58.00   $40.00
- +
10g
98%
in stock  
$100.00   $70.00
- +
25g
98%
in stock  
$179.00   $125.00
- +
100g
98%
in stock  
$397.00   $278.00
  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IB2
Chemical Name:
3,3-Diphenylpropionitrile
CAS Number:
2286-54-6
Molecular Formula:
C15H13N
Molecular Weight:
207.2704
MDL Number:
MFCD00129747
IUPAC Name:
3,3-diphenylpropanenitrile
InChI:
InChI=1S/C15H13N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11H2
InChI Key:
INERKLNEVAZSCI-UHFFFAOYSA-N
SMILES:
N#CCC(c1ccccc1)c1ccccc1
EC Number:
218-926-0
Properties
Computed Properties
 
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.276g/mol
Monoisotopic Mass:
207.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
3,3-Diphenylpropanenitrile 
2286-54-6 
AC1L2OGO 
AC1Q4RZJ 
ChemDiv3_000616 
3,3-Diphenyl-propionitrile 
Diphenylpropionitrile; 97% 
2-Cyano-1,1-diphenylethane 
3,3-Diphenylpropanenitrile # 
SCHEMBL3952853 
CTK1A1893 
DTXSID40177402 
3,3-Diphenylpropionitrile 
INERKLNEVAZSCI-UHFFFAOYSA-N 
HMS1474L22 
3,3-DIPHENYL PROPIONITRILE 
Benzenepropanenitrile, beta-phenyl- 
ZINC1841332 
ANW-24980 
MFCD00129747 
SBB060939 
STL334490 
Benzenepropanenitrile, .beta.-phenyl- 
3,3-Diphenylpropiononitrile 
AKOS015889667 
AM90192 
MCULE-5179427799 
VZ25396 
NCGC00172687-01 
AJ-31785 
AN-50655 
CC-12943 
CJ-30003 
ST023633 
Q-200335 
AX8015881 
DB-021815 
TC-113725 
D2590 
FT-0634180 
286D546 
C-10477 
SR-01000402803 
I01-2597 
SR-01000402803-1 
EINECS 218-926-0 
BRD-K55260034-001-01-7 
3,3-Dimethylacrylic acid 
C15H13N 
CID75295 
AR-1E8782 
C15-H13-N 
23458-75-5 
PubChem13616 
BAS 00260578 
ACMC-209fza 
3,3-diphenylpropanitrile 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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