N-Cyclohexyl-N-methyl-o-nitrobenzylamine

Base Information

• Chemical Name: N-Cyclohexyl-N-methyl-o-nitrobenzylamine
• CAS No.: 80638-08-0
• Molecular Formula: C14H20N2O2
• Molecular Weight: 248.325
• European Community (EC) Number: 279-522-8
• DSSTox Substance ID: DTXSID801001354
• Nikkaji Number: J269.344E
• Wikidata: Q82995251
• Mol file: 80638-08-0.mol

Synonyms:80638-08-0;N-Cyclohexyl-N-methyl-o-nitrobenzylamine;N-methyl-N-[(2-nitrophenyl)methyl]cyclohexanamine;EINECS 279-522-8;N-(2-Nitrobenzyl)-N-cyclohexyl-N-methylamine;N-CYCLOHEXYL-N-METHYL-2-NITROBENZYLAMINE;SCHEMBL8895608;DTXSID801001354;Bromhexine Impurity (N-(2-Nitrobenzyl)-N-cyclohexyl-N-methylamine);N-methyl-N-(2-nitrobenzyl)cyclohexanamine;N-Cyclohexyl-N-methyl-2-nitrobenzenemethanamine

Chemical Property of N-Cyclohexyl-N-methyl-o-nitrobenzylamine

Chemical Property:

• Vapor Pressure: 4.52E-05mmHg at 25°C
• Boiling Point: 350°Cat760mmHg
• PKA: 8.27±0.20(Predicted)
• Flash Point: 165.5°C
• PSA: 49.06000
• Density: 1.12g/cm³
• LogP: 3.88250
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 248.152477885
• Heavy Atom Count: 18
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

N-METHYL-N-[(2-NITROPHENYL)METHYL]CYCLOHEXANAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC1=CC=CC=C1[N+](=O)[O-])C2CCCCC2
• Uses: N-?Cyclohexyl-?N-?methyl-?2-?nitrobenzenemethanamine is an intermediate in the preparation of bromohexine tablets which is a mucolytic drug used in the treatment of respiratory disorders with excessive mucus.

Technology Process of N-Cyclohexyl-N-methyl-o-nitrobenzylamine

There total 2 articles about N-Cyclohexyl-N-methyl-o-nitrobenzylamine 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: 93.0%

N-methylcyclohexylamine (100-60-7) + 2-nitrobenzylamine (1904-78-5) → N-methyl-N-(o-nitrobenzyl)cyclohexylamine (80638-08-0)

Guidance literature:

In cyclohexane; for 8h; Time;

Reference yield:

→ N-methyl-N-(o-nitrobenzyl)cyclohexylamine (80638-08-0)

Guidance literature:

2-Nitro-benzylbromid, N-Methyl-cyclohexylamin, absol. Ethanol, Kochen, 5 h;

upstream raw materials:

N-methylcyclohexylamine

2-nitrobenzylamine

Refernces