3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile

Base Information

• Chemical Name: 3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile
• CAS No.: 6305-56-2
• Molecular Formula: C8H13N3O
• Molecular Weight: 167.21
• Hs Code.: 2926909090
• NSC Number: 41160
• DSSTox Substance ID: DTXSID80978990
• Nikkaji Number: J27.811D
• Wikidata: Q82964491
• Mol file: 6305-56-2.mol

Synonyms:6305-56-2;3-[2-cyanoethyl(2-hydroxyethyl)amino]propanenitrile;3-(2-CYANOETHYL-(2-HYDROXYETHYL)AMINO)PROPANENITRILE;NSC41160;SCHEMBL65324;DTXSID80978990;NSC-41160;AKOS016035500;3,3'-[(2-Hydroxyethyl)azanediyl]dipropanenitrile

Chemical Property of 3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile

Chemical Property:

• Boiling Point: 410.8oC at 760 mmHg
• Flash Point: 202.2oC
• PSA: 71.05000
• Density: 1.099g/cm3
• LogP: 0.10806
• XLogP3: -1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 167.105862047
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CN(CCC#N)CCO)C#N

Technology Process of 3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile

There total 4 articles about 3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile 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: 98.0%

ethanolamine (141-43-5) + acrylonitrile (107-13-1,25014-41-9) → 3,3'-<(2-hydroxyethyl)imino>bispropionitrile (6305-56-2)

Guidance literature:

In water; at 20 ℃; for 72h;

DOI:10.1002/ejoc.201001307

Reference yield: 71.0%

ethanolamine (141-43-5) + acrylonitrile (107-13-1,25014-41-9) → 3-<(2-hydroxyethyl)amino>propionitrile (33759-44-3) + 3,3'-<(2-hydroxyethyl)imino>bispropionitrile (6305-56-2)

Guidance literature:

With OMS-MIL-100(Fe); In toluene; at 50 ℃; for 24h; Sealed tube; Schlenk technique; Green chemistry;

DOI:10.1007/s10562-018-2490-5

Reference yield:

→ 3,3'-<(2-hydroxyethyl)imino>bispropionitrile (6305-56-2)

Guidance literature:

Monoethanolamin, Acrylonitril, Erwaermen;

upstream raw materials:

ethanolamine

acrylonitrile

Downstream raw materials:

benzene-1,3,5-tricarboxylic acid tris-{2-[bis-(2-cyano-ethyl)-amino]-ethyl} ester