1,3-Cyclohexanediamine

Base Information

• Chemical Name: 1,3-Cyclohexanediamine
• CAS No.: 3385-21-5
• Molecular Formula: C₆H₁₄N₂
• Molecular Weight: 114.191
• Hs Code.: 29213000
• European Community (EC) Number: 222-194-8,805-790-8
• DSSTox Substance ID: DTXSID10863163
• Nikkaji Number: J23.475C
• Wikidata: Q72462756
• Mol file: 3385-21-5.mol

Synonyms:3385-21-5;1,3-CYCLOHEXANEDIAMINE;1,3-Diaminocyclohexane;cyclohexane-1,3-diamine;Cyclohex-1,3-ylenediamine;CCRIS 6679;EINECS 222-194-8;MFCD00059563;UNII-TL4XC50613;2,4-diaminocyclohexane;1,3-diamino-cyclohexane;cyclohexane-1.3-diamine;SCHEMBL63567;(rac)-1,3-cyclohexanediamine;DTXSID10863163;TL4XC50613;26883-70-5;1,3-Cyclohexanediamine, AldrichCPR;AKOS000164147;AKOS016844294;BP-20217;BS-22668;LS-56759;FT-0606597;F14870;EN300-2011942;W-109888

Chemical Property of 1,3-Cyclohexanediamine

Chemical Property:

• Vapor Pressure: 0.525mmHg at 25°C
• Refractive Index: 1.49
• Boiling Point: 191.1°Cat760mmHg
• PKA: 10.70±0.70(Predicted)
• Flash Point: 79.4°C
• PSA: 52.04000
• Density: 0.95
• 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% ^*data from raw suppliers

1,3-Cyclohexanediamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xn
• Statements: 34-20/21/22-36-22
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Cyclic
• Canonical SMILES: C1CC(CC(C1)N)N

Technology Process of 1,3-Cyclohexanediamine

There total 27 articles about 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