1-(Aminomethyl)cyclohexan-1-amine

Base Information

• Chemical Name: 1-(Aminomethyl)cyclohexan-1-amine
• CAS No.: 5062-67-9
• Molecular Formula: C7H16 N2
• Molecular Weight: 128.217
• Hs Code.: 2921300090
• DSSTox Substance ID: DTXSID90198667
• Nikkaji Number: J48.245E
• Wikidata: Q83071493
• Mol file: 5062-67-9.mol

Synonyms:5062-67-9;1-(aminomethyl)cyclohexan-1-amine;1-(Aminomethyl)cyclohexanamine;1-AMINOMETHYL-CYCLOHEXYLAMINE;1-AMINOMETHYLCYCLOHEXYLAMINE;Cyclohexanemethanamine, 1-amino-;Amino-1 aminomethyl-1 cyclohexane;Cyclohexylamine, 1-aminomethyl-;[(1-aminocyclohexyl)methyl]amine;(1-aminocyclohexyl)methylamine dihydrochloride;Cyclohexanemethanamine, 1-amino- (9CI);SCHEMBL283331;1-(aminomethyl)cyclohexaneamine;DTXSID90198667;MFCD01745586;AKOS005216075;SB37410;BS-12078;LS-57603;BB 0258983;EN300-40797

Chemical Property of 1-(Aminomethyl)cyclohexan-1-amine

Chemical Property:

• Vapor Pressure: 0.81mmHg at 25°C
• Boiling Point: 182.5°C at 760 mmHg
• PKA: 10.27±0.29(Predicted)
• Flash Point: 73°C
• PSA: 52.04000
• Density: 0.934g/cm³
• LogP: 2.00730
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.131348519
• Heavy Atom Count: 9
• Complexity: 84.9

Purity/Quality:

98% ^*data from raw suppliers

1-(Aminomethyl)cyclohexanamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(CN)N

Technology Process of 1-(Aminomethyl)cyclohexan-1-amine

There total 6 articles about 1-(Aminomethyl)cyclohexan-1-amine 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:

1-amino-1-cyanocyclohexane (5496-10-6) → 1-amino-1-aminomethyl-cyclohexane (5062-67-9)

Guidance literature:

Multi-step reaction with 3 steps

2: platinum; acetic acid anhydride / Hydrogenation

3: aqueous hydrochloric acid

With hydrogenchloride; acetic anhydride; platinum;

Reference yield:

1-(aminomethyl)cyclohexan-1-amine dihydrochloride (123194-05-8) → 1-amino-1-aminomethyl-cyclohexane (5062-67-9)

Guidance literature:

With BioRad AG 1X-8 resin; In methanol; not specified

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-amino-1-aminomethyl-cyclohexane (5062-67-9)

Guidance literature:

Multi-step reaction with 2 steps

1: titanium(IV) isopropylate; ammonia

2: lithium aluminium tetrahydride / tert-butyl methyl ether / 0.5 h / 45 °C

With titanium(IV) isopropylate; lithium aluminium tetrahydride; ammonia; In tert-butyl methyl ether;

upstream raw materials:

1-acetylamino-1-(acetylamino-methyl)-cyclohexane

1-amino-1-cyanocyclohexane

cyclohexanone

1-(aminomethyl)cyclohexan-1-amine dihydrochloride

Downstream raw materials:

Undec-10-enoic acid [1-(undec-10-enoylamino-methyl)-cyclohexyl]-amide

2-Ethyl-N-{1-[(2-ethyl-butyrylamino)-methyl]-cyclohexyl}-butyramide

1,3-diazaspiro[4.5]decane-2-thione

C₂₁H₂₈N₂O₄S₂

Refernces

• 1、 -. "DIPEPTIDYL PEPTIDASE IV INHIBITOR". Page/Page column 84. . Retrieved 2010/11/29.