N-(2-Heptyl)aniline

Base Information

• Chemical Name: N-(2-Heptyl)aniline
• CAS No.: 67915-63-3
• Molecular Formula: C13H21 N
• Molecular Weight: 191.316
• European Community (EC) Number: 614-168-3
• DSSTox Substance ID: DTXSID501309113
• Nikkaji Number: J1.760.577A
• Mol file: 67915-63-3.mol

Synonyms:N-(2-HEPTYL)ANILINE;N-PHENYL-2-AMINOHEPTANE;N-heptan-2-ylaniline;67915-63-3;124900-23-8;N-(1-methylhexyl)aniline;N-(1methylhexyl)aniline;N-(1-methylhexyl) aniline;N-(1-Methylhexyl)benzenamine;SCHEMBL1455140;MPMKJQOUZLQYHV-UHFFFAOYSA-N;DTXSID501309113

Chemical Property of N-(2-Heptyl)aniline

Chemical Property:

• Vapor Pressure: 0.00244mmHg at 25°C
• Boiling Point: 287.8°C at 760 mmHg
• Flash Point: 127.2°C
• PSA: 12.03000
• Density: 0.918g/cm³
• LogP: 4.14030
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 191.167399674
• Heavy Atom Count: 14
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

N-(2-HEPTYL)ANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C)NC1=CC=CC=C1

Technology Process of N-(2-Heptyl)aniline

There total 12 articles about N-(2-Heptyl)aniline 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: 96.0%

n-pentyl methyl ketone (110-43-0) + aniline (62-53-3) → N-(1-methylhexyl)aniline (67915-63-3)

Guidance literature:

With sodium tetrahydroborate; at 20 ℃; for 0.25h;

DOI:10.1080/00397910903026731

Reference yield: 94.0%

N-phenyl-(1-methylhexylidene)amine (56037-30-0,56037-54-8,61285-49-2) → N-(1-methylhexyl)aniline (67915-63-3)

Guidance literature:

With isopropyl alcohol; [Ru2(CO)4(μ-H)(C4Ph4COHOCC4Ph4)]; In benzene; at 70 ℃; for 6h;

DOI:10.1002/1521-3765(20020703)8:13<2955::AID-CHEM2955>3.0.CO;2-Q

Reference yield: 93.0%

n-pentyl methyl ketone (110-43-0) → N-(1-methylhexyl)aniline (67915-63-3)

Guidance literature:

With sodium borohydrid; propionic acid; aniline;

upstream raw materials:

N-phenyl-(1-methylhexylidene)amine

n-pentyl methyl ketone

aniline

toluene-4-sulfonic acid

Downstream raw materials:

N-(1-methylhexyl)-N-propylaniline

N-butyl-N-(1-methylhexyl)aniline

N-phenyl-(1-methylhexylidene)amine