cis-1,3-Cyclohexanediamine

Base Information

• Chemical Name: cis-1,3-Cyclohexanediamine
• CAS No.: 26772-34-9
• Molecular Formula: C6H14N2
• Molecular Weight: 114.191
• Hs Code.: 2921300090
• European Community (EC) Number: 805-789-2
• UNII: S4DG5UT66T
• Nikkaji Number: J88.452I
• Wikidata: Q27288578
• Mol file: 26772-34-9.mol

Synonyms:26772-34-9;cis-1,3-Cyclohexanediamine;cis-1,3-Diaminocyclohexane;cis-cyclohexane-1,3-diamine;(1R,3S)-cyclohexane-1,3-diamine;1,3-Cyclohexanediamine, cis-;S4DG5UT66T;1,3-Diaminocyclohexane, cis-;Rel-(1R,3S)-1,3-cyclohexanediamine;1,3-Cyclohexanediamine, (1R,3S)-rel-;(1R,3S)-1,3-Cyclohexanediamine;UNII-S4DG5UT66T;SCHEMBL1080038;1alpha,3alpha-Cyclohexanediamine;GEQHKFFSPGPGLN-OLQVQODUSA-N;MFCD16294563;AKOS006340631;AM85391;(1R,3S)-1beta,3beta-Cyclohexanediamine;BS-27788;C2801;EN300-268646;T70691;Q27288578;1821735-98-1

Chemical Property of cis-1,3-Cyclohexanediamine

Chemical Property:

• Refractive Index: 1.4890-1.4930
• Boiling Point: 198°C(lit.)
• PKA: 10.70±0.70(Predicted)
• PSA: 52.04000
• Density: 0.9515 g/cm3
• LogP: 1.61560
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.115698455
• Heavy Atom Count: 8
• Complexity: 64.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

cis-1,3-Cyclohexanediamine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CC(C1)N)N
• Isomeric SMILES: C1C[C@H](C[C@H](C1)N)N

Technology Process of cis-1,3-Cyclohexanediamine

There total 37 articles about cis-1,3-Cyclohexanediamine 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: 98.0%

C12H16Cl6N2O4 → 1,3-diaminocyclohexane (3385-21-5,26772-34-9,26883-70-5,115092-57-4)

Guidance literature:

With potassium carbonate; In acetone; at 100 ℃; for 24h;

Reference yield: 80.0%

trans-N,N'-bis(acetyl)cyclohexane-1,3-diamine (32189-20-1,32189-21-2,32266-56-1) → trans-cyclohexane-1,3-diamine (3385-21-5,26772-34-9,26883-70-5,115092-57-4)

Guidance literature:

With hydrogenchloride; for 12h; Heating;

DOI:10.1071/CH02099

Reference yield: 73.0%

cyclohexane-1,3-dicarboxylic acid (3971-31-1) → 1,3-diaminocyclohexane (3385-21-5,26772-34-9,26883-70-5,115092-57-4)

Guidance literature:

With sodium azide; sulfuric acid; In chloroform; at 0 - 50 ℃; for 1h;

DOI:10.1071/CH02099

upstream raw materials:

1,3-cyclohexanedionedioxime

3-nitro-aniline

hydrogenchloride

acetic acid

Downstream raw materials:

hex-5-en-1-al

cyclohexa-1,4-diene

cyclohexa-1,3-diene

cis-N,N'-bis(acetyl)cyclohexane-1,3-diamine