N-[1-(Aminomethyl)cyclohexyl]aniline

Base Information

• Chemical Name: N-[1-(Aminomethyl)cyclohexyl]aniline
• CAS No.: 143538-87-8
• Molecular Formula: C13H20 N2
• Molecular Weight: 204.315
• Hs Code.: 2921590090
• DSSTox Substance ID: DTXSID00585448
• Wikidata: Q82477418
• Mol file: 143538-87-8.mol

Synonyms:143538-87-8;N-[1-(aminomethyl)cyclohexyl]-N-phenylamine;N-[1-(Aminomethyl)cyclohexyl]aniline;N-(1-(Aminomethyl)cyclohexyl)aniline;SCHEMBL3405649;DTXSID00585448;GNUPSPJARRNNFS-UHFFFAOYSA-N;(1-aminomethylcyclohexyl)phenylamine;AKOS000119270;SB78165;NCGC00338038-01;EN300-26894;AB01140476-03;Z235342005

Chemical Property of N-[1-(Aminomethyl)cyclohexyl]aniline

Chemical Property:

• PSA: 38.05000
• LogP: 3.53340
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 204.162648646
• Heavy Atom Count: 15
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

N-[1-(Aminomethyl)cyclohexyl]aniline 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(CN)NC2=CC=CC=C2

Technology Process of N-[1-(Aminomethyl)cyclohexyl]aniline

There total 3 articles about N-[1-(Aminomethyl)cyclohexyl]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: 79.0%

1-(phenylamino)cyclohexanecarbonitrile (64269-06-3) → (1-aminomethylcyclohexyl)phenylamine (143538-87-8)

Guidance literature:

With ethanol; sodium;

DOI:10.1080/10426500600754794

Reference yield: 63.0%

1-anilinocyclohexane-1-carboxamide (64269-12-1) → (1-aminomethylcyclohexyl)phenylamine (143538-87-8)

Guidance literature:

With borane-dimethylsulphate; In tetrahydrofuran; at 20 ℃; for 17h; Product distribution / selectivity; Heating / reflux;

Reference yield:

N-cyclohexylidenebenzenamine (1132-38-3) → (1-aminomethylcyclohexyl)phenylamine (143538-87-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / glacial acetic acid / H₂O / 0.5 h / 0 °C

2: H₂, methanolic NH₃ / Raney nickel / 1875.1 Torr / Ambient temperature

With ammonia; hydrogen; acetic acid; nickel; In water;

DOI:10.1055/s-1992-26194

upstream raw materials:

1-(phenylamino)cyclohexanecarbonitrile

N-cyclohexylidenebenzenamine

1-anilinocyclohexane-1-carboxamide

Downstream raw materials:

C₁₈H₂₆N₄O₄

2'-(4-methoxyphenyl)-3'-phenylspiro[cyclohexane-1,4'-perhydro[1,3,2]diazaphosphole]-2'-sulfide

1-phenyl-3-(1-phenylamino-cyclohexylmethyl)-urea

1-phenyl-3-(1-phenylamino-cyclohexylmethyl)-thiourea