sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles 2,2-Diphenylpropionitrile

2,2-Diphenylpropionitrile

CAS No.:
5558-67-8
Catalog Number:
AG003FC6
Molecular Formula:
C15H13N
Molecular Weight:
207.2704
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$52
- +
10g
97%
1 week
United States
$64
- +
25g
97%
1 week
United States
$87
- +
100g
97%
1 week
United States
$170
- +
Product Description
Catalog Number:
AG003FC6
Chemical Name:
2,2-Diphenylpropionitrile
CAS Number:
5558-67-8
Molecular Formula:
C15H13N
Molecular Weight:
207.2704
MDL Number:
MFCD00001846
IUPAC Name:
2,2-diphenylpropanenitrile
InChI:
InChI=1S/C15H13N/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
InChI Key:
DPVHBXFSKLKYIQ-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)(c1ccccc1)C
EC Number:
226-925-1
NSC Number:
62703
Properties
Complexity:
242  
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:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties