Propanenitrile, 3-(butylphenylamino)-

Base Information

• Chemical Name: Propanenitrile, 3-(butylphenylamino)-
• CAS No.: 61852-40-2
• Molecular Formula: C13H18 N2
• Molecular Weight: 202.299
• Hs Code.: 2926909090
• European Community (EC) Number: 263-275-8
• UNII: FD7XA8E2QK
• DSSTox Substance ID: DTXSID8069513
• Nikkaji Number: J150.200J
• Wikidata: Q72514477
• Mol file: 61852-40-2.mol

Synonyms:61852-40-2;3-(Butyl(phenyl)amino)propanenitrile;Propanenitrile, 3-(butylphenylamino)-;3-(Butylphenylamino)propiononitrile;3-(N-butylanilino)propanenitrile;N-(2-Cyanoethyl)-N-N-butylaniline;Cyanoethylbutylaniline;N-Butyl-N-(2-cyanoethyl)aniline;3-[butyl(phenyl)amino]propanenitrile;FD7XA8E2QK;3-(Butylphenylamino)propanenitrile;EINECS 263-275-8;N-(2-Cyanoethyl)-N-butylaniline;UNII-FD7XA8E2QK;SCHEMBL9323694;DTXSID8069513;3-(Butylanilino)propanenitrile #;3-(butylphenylamino)propanonitrile;MFCD00019863;AKOS000196608;SB78181;3-(N-Butyl-N-phenylamino)propionitrile;3-(N-BUTYLANILINO)-PROPIONITRILE;AC-11535;AS-62922;CS-0188385;FT-0640792;N-BUTYL-N-(.BETA.-CYANOETHYL)ANILINE;D89317;A833452;W-105088

Chemical Property of Propanenitrile, 3-(butylphenylamino)-

Chemical Property:

• Vapor Pressure: 8.22E-05mmHg at 25°C
• Boiling Point: 341.1 °C at 760 mmHg
• PKA: 5.12±0.50(Predicted)
• Flash Point: 143.4 °C
• PSA: 27.03000
• Density: 0.994 g/cm³
• LogP: 3.20678
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 202.146998583
• Heavy Atom Count: 15
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

N-(2-Cyanoethyl)-N-butylaniline >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCC#N)C1=CC=CC=C1

Technology Process of Propanenitrile, 3-(butylphenylamino)-

There total 1 articles about Propanenitrile, 3-(butylphenylamino)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

N-(n-butyl)aniline (1126-78-9) + acrylonitrile (107-13-1,25014-41-9) → N-butyl-N-phenyl-β-alanine nitrile (61852-40-2)

Guidance literature:

DOI:10.1021/jo01361a023

Reference yield:

4-nitro-2,6-dichloroaniline (99-30-9) + N-butyl-N-phenyl-β-alanine nitrile (61852-40-2) → C19H19Cl2N5O2

Guidance literature:

With nitrosylsulfuric acid; sulfuric acid; aminosulfonic acid; In water; acetic acid; propionic acid; at 0 - 20 ℃; for 1h;

Reference yield:

nitrosylsulfuric acid (7782-78-7) + 4-nitro-2,6-dichloroaniline (99-30-9) + N-butyl-N-phenyl-β-alanine nitrile (61852-40-2) → C19H19Cl2N5O2

Guidance literature:

nitrosylsulfuric acid; 4-nitro-2,6-dichloroaniline; In propionic acid; sulfuric acid; acetic acid; at 0 ℃;

N-butyl-N-phenyl-β-alanine nitrile; In H₂O; sulfamic acid; acetic acid; at 0 - 20 ℃; for 1h;

upstream raw materials:

N-(n-butyl)aniline

acrylonitrile