sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles Propanedinitrile, 2-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-

Propanedinitrile, 2-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-

CAS No.:
23051-44-7
Catalog Number:
AG002M18
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002M18
Chemical Name:
Propanedinitrile, 2-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-
CAS Number:
23051-44-7
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD00228058
IUPAC Name:
2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile
InChI:
InChI=1S/C12H14N2/c1-9-4-10(11(7-13)8-14)6-12(2,3)5-9/h4H,5-6H2,1-3H3
InChI Key:
QTUUBOZSGQFLRZ-UHFFFAOYSA-N
SMILES:
N#CC(=C1C=C(C)CC(C1)(C)C)C#N
NSC Number:
174848
Properties
Complexity:
386  
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:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
2-{5,5-Dimethyl-3-[2-(pyridin-2-yl)ethen-yl]cyclo-hex-2-enyl-idene}propane-dinitrile. Acta crystallographica. Section E, Structure reports online 20110201
The synthesis and spectral properties of a stimuli-responsive D-π-A charge transfer dye. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110101
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
(E)-2-{3-[4-(Diphenyl-amino)styr-yl]-5,5-dimethyl-cyclo-hex-2-enyl-idene}-malono-nitrile. Acta crystallographica. Section E, Structure reports online 20090501
Properties