6-[2-(1H-imidazol-5-yl)ethylamino]-N-(4-methylphenyl)heptanamide

Base Information

• Chemical Name: 6-[2-(1H-imidazol-5-yl)ethylamino]-N-(4-methylphenyl)heptanamide
• CAS No.: 103827-15-2
• Molecular Formula: C19H28 N4 O
• Molecular Weight: 328.45182
• DSSTox Substance ID: DTXSID60908619
• ChEMBL ID: CHEMBL291607
• Mol file: 103827-15-2.mol

Synonyms:6-((2-(4-imidazolyl)ethyl)amino)heptanoic acid 4-toluidide;6-((2-(4-imidazolyl)ethyl)amino)heptanoic acid 4-toluidide dihydrochloride;HTMT-6

Chemical Property of 6-[2-(1H-imidazol-5-yl)ethylamino]-N-(4-methylphenyl)heptanamide

Chemical Property:

• Vapor Pressure: 3.41E-14mmHg at 25°C
• Boiling Point: 596.5°Cat760mmHg
• Flash Point: 314.5°C
• PSA: 69.81000
• Density: 1.11g/cm³
• LogP: 3.90170
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 328.22631153
• Heavy Atom Count: 24
• Complexity: 355

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=O)CCCCC(C)NCCC2=CN=CN2

Technology Process of 6-[2-(1H-imidazol-5-yl)ethylamino]-N-(4-methylphenyl)heptanamide

There total 1 articles about 6-[2-(1H-imidazol-5-yl)ethylamino]-N-(4-methylphenyl)heptanamide 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:

6-oxoheptanoic acid p-methylanilide (83086-06-0) + histamine dichloride (56-92-8) → 6-{[2-(4-imidazolyl)ethyl]amino}heptanoic acid p-toluidide (103827-15-2)

Guidance literature:

With sodium cyanoborohydride; In methanol; at 55 ℃;

DOI:10.1021/jm00394a031

upstream raw materials:

6-oxoheptanoic acid p-methylanilide

histamine dichloride