(3,5,5-Trimethylcyclohex-2-enylidene)malononitrile
| Catalog Number | Size | Price | Stock | Quantity |
|---|---|---|---|---|
| BPM-187972 | 5 g | $299 | In stock |
Product Information
Molecular Formula
C12H14N2
Molecular Weight
186.25
Description
(3,5,5-Trimethylcyclohex-2-enylidene)malononitrile is a versatile small molecule scaffold.
Synonyms
Propanedinitrile, (3,5,5-trimethyl-2-cyclohexen-1-ylidene)-; 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile; 3-Dicyanomethylene-1,5,5-trimethylcyclohexene; (3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile; (3,5,5-Trimethyl-2-cyclohexen-1-ylidene)propanedinitrile
IUPAC Name
2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile
SMILES
CC1=CC(=C(C#N)C#N)CC(C1)(C)C
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
Boiling Point
175-176 °C(Press: 19 Torr)
Melting Point
73-77 °C(lit.)
Purity
98%
Density
1.007±0.06 g/cm3(Predicted)
Appearance
White to Light Yellow Powder to Crystal
Safety Information
Hazards
H317
Precautionary Statement
P280
Computed Properties
XLogP3
2.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
186.115698455 g/mol
Monoisotopic Mass
186.115698455 g/mol
Topological Polar Surface Area
47.6Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
386
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114105879-A | Preparation of novel isophorone derivative and application of novel isophorone derivative in fields of organelle marking and viscosity detection | 2021-11-22 |
| CN-113956274-A | Design and synthesis method of fluorescent probe capable of responding to viscosity and peroxynitrite change in epileptic diseases | 2021-10-29 |
| CN-113150575-A | Near-infrared naphthalimide dye and preparation method and application thereof | 2021-04-26 |
| CN-112322281-A | Design and synthesis of fluorescent probe for selectively detecting quinone oxidoreductase 1 | 2020-11-19 |
| CN-111499604-A | Lysosome targeted Cys near-infrared fluorescent probe and preparation method and application thereof | 2020-03-30 |
| US-2021154330-A1 | Hnqo1-activatable fluorescent probe for imaging cancer cells in-vitro and in-vivo | 2019-11-26 |
| CN-110563609-A | Preparation method and application of near-infrared fluorescent probe for detecting selenious acid roots | 2019-09-26 |
| CN-110577754-A | Dye photosensitizer and preparation method and application thereof | 2019-09-10 |
| CN-110577754-B | Dye photosensitizer and preparation method and application thereof | 2019-09-10 |
| CN-110642905-A | Near-infrared glucose fluorescent probe and preparation method thereof | 2019-09-03 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21523115 | 2011-01-22 | 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 |
| 21074486 | 2011-01-01 | The synthesis and spectral properties of a stimuli-responsive D-π-A charge transfer dye | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
| 21583944 | 2009-04-25 | (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 |
