2-Amino-N-cyclohexyl-N-methylbenzylamine

Base Information

• Chemical Name: 2-Amino-N-cyclohexyl-N-methylbenzylamine
• CAS No.: 57365-08-9
• Molecular Formula: C14H22N2
• Molecular Weight: 218.342
• Hs Code.: 2921590090
• European Community (EC) Number: 260-701-4
• DSSTox Substance ID: DTXSID30205965
• Nikkaji Number: J349.143I
• Wikidata: Q83079722
• Mol file: 57365-08-9.mol

Synonyms:57365-08-9;2-Amino-N-cyclohexyl-N-methylbenzylamine;2-((Cyclohexyl(methyl)amino)methyl)aniline;2-[[cyclohexyl(methyl)amino]methyl]aniline;N-(2-Aminobenzyl)-N-methylcyclohexanamine;2-{[cyclohexyl(methyl)amino]methyl}aniline;EINECS 260-701-4;Benzenemethanamine, 2-amino-N-cyclohexyl-N-methyl-;Bromhexine Impurity C;2-Amino-N-cyclohexyl-N-methylbenzenemethanamine;SCHEMBL365219;DTXSID30205965;BCP33608;MFCD00674077;4-BROMO-2-MERCAPTOBENZOICACID;AKOS000120825;SB79447;AS-65651;FT-0661697;EN300-20877;2-Amino-N-cyclohexyl-N-methylbenzylamine, 98%;2-Amino-N-cyclohexyl-N-methylbenzene methamine hcl;Z104484252;Bromhexine impurity C, European Pharmacopoeia (EP) Reference Standard

Chemical Property of 2-Amino-N-cyclohexyl-N-methylbenzylamine

Chemical Property:

• Appearance/Colour: yellowish to creamy crystalline powder
• Vapor Pressure: 6.89E-05mmHg at 25°C
• Melting Point: 44-47 °C(lit.)
• Refractive Index: 1.563
• Boiling Point: 343.8 °C at 760 mmHg
• PKA: 8.78±0.20(Predicted)
• Flash Point: 147.4 °C
• PSA: 29.26000
• Density: 1.02 g/cm³
• LogP: 3.61450
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Solubility.: Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 218.178298710
• Heavy Atom Count: 16
• Complexity: 199

Purity/Quality:

99.9% ^*data from raw suppliers

2-Amino-N-cyclohexyl-N-methylbenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC1=CC=CC=C1N)C2CCCCC2
• Uses: 2-Amino-N-cyclohexyl-N-methylbenzylamine is an impurity of Bromhexine hydrochloride (B678600). Bromhexine hydrochloride impurity C.

Technology Process of 2-Amino-N-cyclohexyl-N-methylbenzylamine

There total 2 articles about 2-Amino-N-cyclohexyl-N-methylbenzylamine 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: 85.0%

N-methylcyclohexylamine (100-60-7) + ortho-(chloromethyl)-aniline (114059-99-3) → N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine (57365-08-9)

Guidance literature:

In ethanol; at 20 ℃; for 1.5h; Time; Solvent; Reflux;

Reference yield:

→ N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine (57365-08-9)

Guidance literature:

entspr. 2-Nitro-benzyl-Verb., 1.) 80percentig. Hydrazinhydrat, Raney-Nickel, Me., Reduktion, 2.)2h kochen;

Reference yield: 96.0%

N-(2-aminobenzyl)-N-cyclohexyl-N-methylamine (57365-08-9) + 5-bromosalicyclaldehyde (1761-61-1) → C21H25BrN2O

Guidance literature:

In toluene; Dean-Stark; Reflux;

DOI:10.1021/acs.inorgchem.5b02043

upstream raw materials:

N-methylcyclohexylamine

ortho-(chloromethyl)-aniline

Refernces