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(3,5,5-Trimethylcyclohex-2-enylidene)malononitrile

(3,5,5-Trimethylcyclohex-2-enylidene)malononitrile

Inquiry

Molecular Formula:

C12H14N2

Molecular Weight:

186.25

CAS Number:

23051-44-7

Catalog Number:

23051-44-7

Product Information

Molecular Formula:

C12H14N2

Molecular Weight:

186.25

Description

Applications: 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile is a useful research chemical.

Synonyms

2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile; 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-enylidene)malononitrile; Propanedinitrile, 2-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-; (3 5 5-TRIMETHYLCYCLOHEX-2-ENYLIDENE)MA&; (3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile; (3,5,5-Trimethyl-2-cyclohexen-1-ylidene)propanedinitrile; Propanedinitrile, (3,5,5-trimethyl-2-cyclohexen-1-ylidene)-; 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile

IUPAC Name

2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile

Canonical 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.)

Density

1.007±0.06 g/cm3(Predicted)

Safety Information

Hazards

H317

Precautionary Statement

P280

Computed Properties

XLogP3

2.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

186.115698455 g/mol

Monoisotopic Mass

186.115698455 g/mol

Topological Polar Surface Area

47.6Å²

Heavy Atom Count

Formal Charge

Complexity

386

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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