2-Propylheptane-1,3-diamine

Base Information

• Chemical Name: 2-Propylheptane-1,3-diamine
• CAS No.: 94226-15-0
• Molecular Formula: C₁₀H₂₄N₂
• Molecular Weight: 172.314
• NSC Number: 71571
• DSSTox Substance ID: DTXSID60916057
• Nikkaji Number: J802.334D

Synonyms:94226-15-0;2-propylheptane-1,3-diamine;NSC71571;NCIOpen2_000564;DTXSID60916057;NSC-71571

Chemical Property of 2-Propylheptane-1,3-diamine

Chemical Property:

• Vapor Pressure: 0.0338mmHg at 25°C
• Refractive Index: 1.461
• Boiling Point: 242.5 °C at 760 mmHg
• Flash Point: 118.2 °C
• Density: 0.854 g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 172.193948774
• Heavy Atom Count: 12
• Complexity: 93.8

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C(CCC)CN)N

Technology Process of 2-Propylheptane-1,3-diamine

There total 3 articles about 2-Propylheptane-1,3-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:

→ 1-butyl-2-propyl-propanediyldiamine (94226-15-0)

Guidance literature:

With diethyl ether; nickel; at 120 - 150 ℃; under 147102 - 220652 Torr; Hydrogenation;

DOI:10.1021/ja01253a041

Reference yield:

Valeronitrile dimer (49689-62-5) → 5-aminononane (2198-45-0) + 1-butyl-2-propyl-propanediyldiamine (94226-15-0)

Guidance literature:

at 120 - 150 ℃; under 147102 - 220652 Torr; Hydrogenation;

Reference yield:

2,4,6-tributyl-[1,3,5]triazinane (40899-06-7) → 2-Propyl-1,3-heptandiamin (71322-08-2,94226-15-0)

Guidance literature:

Multistep reaction; (i) NH₄Cl, hexane, (ii) NaBH₄, (iii) aq. HCl;

upstream raw materials:

Valeronitrile dimer

2,4,6-tributyl-[1,3,5]triazinane

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