29504-89-0

Basic information

• Product Name: 3-(OCTYLAMINO)PROPIONITRILE
• Synonyms: 3-(OCTYLAMINO)PROPIONITRILE;3-(Octylamino)propanenitrile;3-(octylamino)propiononitrile;3-(OCTYLAMINO)PROPIONITRILE 99%;N-(2-Cyanoethyl)octylamine
• CAS NO: 29504-89-0
• Molecular Formula: C₁₁H₂₂N₂
• Molecular Weight: 182.31
• EINECS: 249-669-2
• Mol File: 29504-89-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 117-120°C 1mm
• Flash Point: 129.9 °C
• Appearance: /
• Density: 0,86 g/cm3
• Vapor Pressure: 0.00198mmHg at 25°C
• Refractive Index: 1.445
• CAS DataBase Reference: 3-(OCTYLAMINO)PROPIONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(OCTYLAMINO)PROPIONITRILE(29504-89-0)
• EPA Substance Registry System: 3-(OCTYLAMINO)PROPIONITRILE(29504-89-0)

Safety Data

• Hazardous Substances Data: 29504-89-0(Hazardous Substances Data)

Usage

General Description

3-(Octylamino)propionitrile is a chemical compound with the formula C11H23N. It is a nitrile derivative, meaning it contains a cyano group (CN-) attached to a carbon atom. The compound also contains an octylamine group, which is a derivative of octane and an amine functional group. 3-(Octylamino)propionitrile is commonly used in organic synthesis and pharmaceutical research, and is also employed as a precursor in the production of various chemical compounds. It is important to handle this chemical with caution, as it may be harmful if ingested, inhaled, or comes into contact with the skin.

InChI:InChI=1/C11H22N2/c1-2-3-4-5-6-7-10-13-11-8-9-12/h13H,2-8,10-11H2,1H3

Upstream product

• 111-86-4 n-Octylamine 
• 109-89-7 diethylamine 
• 107-13-1 acrylonitrile 

Downstream Products

• 7173-57-1 N-octyl-propanediyldiamine 

Relevant articles and documents

Ruthenium (II) β-diketimine as hydroamination catalyst, crystal structure and DFT computations

A new half-sandwich ruthenium (II) complex containing β-diketiminate ligand has been synthesized and used for hydroamination of acrylonitrile with aromatic and aliphatic amines. The catalytic activity of prepared complex was compared with a series of ruthenium complexes of β-diketiminate ligands, and the effect of electronic and steric properties of these ligands on catalytic activity of their complexes was investigated. Replacement of H atom in α position of β-diketiminate with (CF3) as an electron-withdrawing group leads to decreasing the reaction yield, and on the other hand, electron-donating group (CH3) has the opposite effect. In addition, crystal structure of [Ru(p-cymen)Cl(LH,Cl)] was determined by single X-ray crystallography. Hirshfeld surface analysis has been performed to determine the dominate interactions in molecular crystal. Furthermore, density functional, QTAIM and energy calculations have been carried out, to get the detailed insight into electronic and bonding characteristics of titled compound.