Benzenemethanamine, N-ethyl-3-iodo-

Base Information

• Chemical Name: Benzenemethanamine, N-ethyl-3-iodo-
• CAS No.: 90389-94-9
• Molecular Formula: C₉H₁₂IN
• Molecular Weight: 261.105
• DSSTox Substance ID: DTXSID80919823
• Wikidata: Q82892408
• ChEMBL ID: CHEMBL1178177

Synonyms:90389-94-9;ETHYL[(3-IODOPHENYL)METHYL]AMINE;Benzenemethanamine, N-ethyl-3-iodo-;N-[(3-iodophenyl)methyl]ethanamine;CHEMBL1178177;n-ethyl-3-iodobenzenemethanamine;SCHEMBL13382311;DTXSID80919823;91318-74-0;A1-19822

Chemical Property of Benzenemethanamine, N-ethyl-3-iodo-

Chemical Property:

• Vapor Pressure: 0.00486mmHg at 25°C
• Boiling Point: 276.2°Cat760mmHg
• Flash Point: 120.9°C
• PSA: 12.03000
• Density: 1.539g/cm³
• LogP: 2.79160
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 261.00145
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

Ethyl[(3-iodophenyl)methyl]amine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNCC1=CC(=CC=C1)I

Technology Process of Benzenemethanamine, N-ethyl-3-iodo-

There total 2 articles about Benzenemethanamine, N-ethyl-3-iodo- 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:

Ethyl-[1-(3-iodo-phenyl)-meth-(E)-ylidene]-amine → Ethyl-(3-iodo-benzyl)-amine (90389-94-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2h; Heating;

DOI:10.1021/jm00375a005

Reference yield:

m-iodobenzaldehyde (696-41-3) → Ethyl-(3-iodo-benzyl)-amine (90389-94-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1 h / Ambient temperature

2: LiAlH₄ / diethyl ether / 2 h / Heating

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1021/jm00375a005

upstream raw materials:

m-iodobenzaldehyde

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