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3-(Octylamino)propionitrile, with the chemical formula C11H23N, is a nitrile derivative characterized by the presence of a cyano group (CN-) attached to a carbon atom. 3-(OCTYLAMINO)PROPIONITRILE also features an octylamine group, which is derived from octane and an amine functional group. It is widely utilized in organic synthesis, pharmaceutical research, and serves as a precursor in the production of various chemical compounds. Due to its potential hazards upon ingestion, inhalation, or skin contact, careful handling is advised.

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  • 29504-89-0 Structure
  • Basic information

    1. Product Name: 3-(OCTYLAMINO)PROPIONITRILE
    2. Synonyms: 3-(OCTYLAMINO)PROPIONITRILE;3-(Octylamino)propanenitrile;3-(octylamino)propiononitrile;3-(OCTYLAMINO)PROPIONITRILE 99%;N-(2-Cyanoethyl)octylamine
    3. CAS NO:29504-89-0
    4. Molecular Formula: C11H22N2
    5. Molecular Weight: 182.31
    6. EINECS: 249-669-2
    7. Product Categories: N/A
    8. Mol File: 29504-89-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 117-120°C 1mm
    3. Flash Point: 129.9 °C
    4. Appearance: /
    5. Density: 0,86 g/cm3
    6. Vapor Pressure: 0.00198mmHg at 25°C
    7. Refractive Index: 1.445
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-(OCTYLAMINO)PROPIONITRILE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-(OCTYLAMINO)PROPIONITRILE(29504-89-0)
    12. EPA Substance Registry System: 3-(OCTYLAMINO)PROPIONITRILE(29504-89-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 29504-89-0(Hazardous Substances Data)

29504-89-0 Usage

Uses

Used in Organic Synthesis:
3-(Octylamino)propionitrile is used as a building block in organic synthesis for the creation of complex organic molecules. Its unique structure allows for versatile reactions and the formation of a wide range of compounds.
Used in Pharmaceutical Research:
In pharmaceutical research, 3-(Octylamino)propionitrile is employed as a key intermediate in the development of new drugs. Its properties make it suitable for the synthesis of bioactive molecules with potential therapeutic applications.
Used as a Precursor in Chemical Production:
3-(Octylamino)propionitrile serves as a precursor in the production of various chemical compounds, contributing to the synthesis of a diverse array of products across different industries. Its role in the synthesis process is crucial for the formation of the desired end products.

Check Digit Verification of cas no

The CAS Registry Mumber 29504-89-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,9,5,0 and 4 respectively; the second part has 2 digits, 8 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 29504-89:
(7*2)+(6*9)+(5*5)+(4*0)+(3*4)+(2*8)+(1*9)=130
130 % 10 = 0
So 29504-89-0 is a valid CAS Registry Number.
InChI:InChI=1/C11H22N2/c1-2-3-4-5-6-7-10-13-11-8-9-12/h13H,2-8,10-11H2,1H3

29504-89-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(octylamino)propanenitrile

1.2 Other means of identification

Product number -
Other names 3-Octylamino-propionsaeure-nitril

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:29504-89-0 SDS

29504-89-0Downstream Products

29504-89-0Relevant articles and documents

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

Dindar, Sara,Nemati Kharat, Ali,Safarkoopayeh, Barzin,Abbasi, Alireza

, p. 403 - 413 (2021/04/26)

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.

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