2,2,4-Trimethylhexane-1,6-diamine

Base Information

• Chemical Name: 2,2,4-Trimethylhexane-1,6-diamine
• CAS No.: 3236-53-1
• Deprecated CAS: 172084-55-8,105759-40-8,112360-55-1,125146-87-4,130014-36-7,161075-53-2,178861-94-4,72258-26-5,76582-77-9,87748-70-7,93365-28-7,232277-88-2,561306-17-0
• Molecular Formula: C9H22N2
• Molecular Weight: 158.287
• Hs Code.: 2921290000
• European Community (EC) Number: 247-063-2,221-792-6
• UNII: PN9C5291DR
• DSSTox Substance ID: DTXSID10863128
• Nikkaji Number: J35.159H
• Wikidata: Q27286647
• Mol file: 3236-53-1.mol

Synonyms:2,2,4-Trimethylhexane-1,6-diamine;2,2,4-Trimethyl-1,6-hexanediamine;3236-53-1;1,6-Hexanediamine, 2,2,4-trimethyl-;1,6-Hexanediamine, 2,2,4(or 2,4,4)-trimethyl-;UNII-PN9C5291DR;PN9C5291DR;EINECS 221-792-6;EINECS 247-063-2;EC 247-063-2;2,2,4(Or 2,4,4)-trimethylhexane-1,6-diamine;2,2,4-(or 2,4,4)-Trimethyl-1,6-hexanediamine;2,2,4-trimethylhexamethylenediamine;starbld0017057;THA (CHRIS Code);UNII-00PFI6E4JT;trimethyl-1,6-hexanediamine;00PFI6E4JT;SCHEMBL22488;DTXSID10863128;2,2,4-trimethyl-1,6-diaminohexane;AKOS015894804;2,2,4-Trimethyl-1,6-hexanediamine #;Q27286647

Chemical Property of 2,2,4-Trimethylhexane-1,6-diamine

Chemical Property:

• Vapor Pressure: 0.313mmHg at 25°C
• Melting Point: 227 °C
• Refractive Index: 1.46
• Boiling Point: 224.9 °C at 760 mmHg
• PKA: 10.69±0.15(Predicted)
• Flash Point: 103.4 °C
• PSA: 52.04000
• Density: 0.856 g/cm³
• LogP: 2.74690
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 158.178298710
• Heavy Atom Count: 11
• Complexity: 99.7

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aliphatic
• Canonical SMILES: CC(CCN)CC(C)(C)CN

Technology Process of 2,2,4-Trimethylhexane-1,6-diamine

There total 2 articles about 2,2,4-Trimethylhexane-1,6-diamine 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:

2,4,4-Trimethyl-adiponitril (1068-18-4) + 2,2,4-Trimethyl-adiponitril (919-97-1) → 2,2,4-trimethylhexamethylenediamine (3236-53-1) + 2,4,4-trimethylhexamethylenediamine (3236-54-2)

Guidance literature:

With ammonia; hydrogen; Raney-type cobalt catalyst; at 120 ℃; for 6h; under 187519 Torr; Product distribution / selectivity;

Reference yield:

→ 2,2,4-trimethylhexamethylenediamine (3236-53-1)

Guidance literature:

RCHO, H2, NH3;

Reference yield:

2,2,4-trimethylhexamethylenediamine (3236-53-1) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → N,N'-dicyclohexyl-TMD (23395-23-5)

Guidance literature:

With hydrogen; 5% Pd/C; at 80 - 130 ℃; for 4.83333h; under 6965.99 - 42133 Torr;

upstream raw materials:

2,4,4-Trimethyl-adiponitril

2,2,4-Trimethyl-adiponitril

Downstream raw materials:

C₂₅H₂₈F₆N₂O₄

N,N'-dicyclohexyl-TMD

Refernces