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1,3-Benzenedicarbonitrile, 2-amino-5-[2-(cyclopropylamino)-1-hydroxyethyl]- is a complex organic compound with the molecular formula C12H12N4O. It is a derivative of benzene, featuring two nitrile groups (-CN) at the 1 and 3 positions, and an amino group (-NH2) at the 2 position. The compound also contains a cyclopropylamine group attached to a hydroxyethyl moiety at the 5 position. This molecule is known for its potential applications in the synthesis of pharmaceuticals and other organic compounds due to its unique structure and reactivity.

95656-80-7

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95656-80-7 Usage

Molecular structure

The compound consists of a benzene ring with two cyano groups (CN) attached to its 1 and 3 carbon atoms, an amino group (NH2) at the 2 position, and a cyclopropylamino group bonded to a hydroxyethyl chain at the 5 position.

Functional groups

The compound contains the following functional groups benzene ring, two cyano groups (CN), an amino group (NH2), a cyclopropylamino group, and a hydroxyethyl chain.

Potential applications

The compound may have potential applications in the pharmaceutical or chemical industries.

Reactivity

The precise chemical properties and reactivity of the compound would need to be determined through further research and analysis.

Solubility

The solubility of the compound in various solvents is not mentioned in the provided material and would need to be determined experimentally.

Stability

The stability of the compound under different conditions (e.g., temperature, pH, etc.) is not mentioned in the provided material and would need to be determined through further research.

Synthesis

The synthesis method for the compound is not provided in the material, and it would require further investigation to determine the most efficient and practical synthesis route.

Purity

The purity of the compound is not mentioned in the provided material, and it would need to be determined through analytical techniques such as chromatography or spectroscopy.

Safety and handling

The safety and handling procedures for the compound are not provided in the material, and it would be essential to establish appropriate safety measures and handling guidelines based on its chemical properties and potential hazards.

Check Digit Verification of cas no

The CAS Registry Mumber 95656-80-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,5,6,5 and 6 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 95656-80:
(7*9)+(6*5)+(5*6)+(4*5)+(3*6)+(2*8)+(1*0)=177
177 % 10 = 7
So 95656-80-7 is a valid CAS Registry Number.

95656-80-7Downstream Products

95656-80-7Relevant academic research and scientific papers

Synthesis of further amino-halogen-substituted phenyl-aminoethanols

Kruger,Keck,Noll,Pieper

, p. 1612 - 1624 (2007/10/02)

Starting from clenbuterol as a lead structure, new 4-amino-phenyl-aminoethanol analogues have been synthesized by different approaches. In these compounds one or both of the chlorine atoms of clenbuterol are replaced by other residues. This has led to compounds with high intrinsic β2-mimetic and/or β1-blocking activities. 1-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-2-tert.-butylamino-ethanol hydrochloride (mabuterol) has been selected for clinical development. A detailed description is also given of the syntheses of new intermediate acetophenone derivatives as well as of the resolution of mabuterol into its enantiomers.

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