{4-[Bis(2-hydroxyethyl)amino]phenyl}acetonitrile

Base Information

• Chemical Name: {4-[Bis(2-hydroxyethyl)amino]phenyl}acetonitrile
• CAS No.: 6335-57-5
• Molecular Formula: C₁₂H₁₆N₂O₂
• Molecular Weight: 220.271
• Hs Code.: 2926909090
• NSC Number: 29754
• DSSTox Substance ID: DTXSID40283113
• Wikidata: Q82017567
• Mol file: 6335-57-5.mol

Synonyms:6335-57-5;NSC 29754;{4-[bis(2-hydroxyethyl)amino]phenyl}acetonitrile;NSC29754;DTXSID40283113;NSC-29754

Chemical Property of {4-[Bis(2-hydroxyethyl)amino]phenyl}acetonitrile

Chemical Property:

• Vapor Pressure: 4.75E-09mmHg at 25°C
• Melting Point: 88 °C(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4))
• Boiling Point: 454.4°C at 760 mmHg
• PKA: 14.26±0.10(Predicted)
• Flash Point: 228.6°C
• PSA: 67.49000
• Density: 1.212g/cm³
• LogP: 0.54368
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 220.121177757
• Heavy Atom Count: 16
• Complexity: 222

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC#N)N(CCO)CCO

Technology Process of {4-[Bis(2-hydroxyethyl)amino]phenyl}acetonitrile

There total 2 articles about {4-[Bis(2-hydroxyethyl)amino]phenyl}acetonitrile 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:

oxirane (75-21-8,99932-75-9) + 4-aminobenzyl cyanide hydrochloride (3457-99-6) → {4-[bis-(2-hydroxy-ethyl)-amino]-phenyl}-acetonitrile (6335-57-5)

Guidance literature:

With sodium acetate; In acetic acid;

DOI:10.1021/jo01067a094

Reference yield:

→ {4-[bis-(2-hydroxy-ethyl)-amino]-phenyl}-acetonitrile (6335-57-5)

Guidance literature:

/BRN= 3377947/;

Reference yield:

{4-[bis-(2-hydroxy-ethyl)-amino]-phenyl}-acetonitrile (6335-57-5) → N-<4-(2-Amino-ethyl)-phenyl>-diethanolamin (91638-05-0)

Guidance literature:

With ammonium hydroxide; hydrogen; nickel;

DOI:10.1021/jo01067a094

upstream raw materials:

oxirane

4-aminobenzyl cyanide hydrochloride

Downstream raw materials:

{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-acetonitrile

N-<4-(2-Amino-ethyl)-phenyl>-diethanolamin

2,2-bis-(2-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-acetylamino)-propionic acid

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