N,N'-Diethyl-1,6-diaminohexane

Base Information

• Chemical Name: N,N'-Diethyl-1,6-diaminohexane
• CAS No.: 13093-05-5
• Deprecated CAS: 1081805-72-2
• Molecular Formula: C10H24N2
• Molecular Weight: 172.314
• Hs Code.: 2921290000
• European Community (EC) Number: 236-006-7
• NSC Number: 166319
• DSSTox Substance ID: DTXSID6065349
• Nikkaji Number: J60.705C
• Wikidata: Q81992139
• Mol file: 13093-05-5.mol

Synonyms:13093-05-5;N,N'-Diethyl-1,6-diaminohexane;N,N'-Diethylhexamethylenediamine;N,N'-diethylhexane-1,6-diamine;N,N'-Diethylhexylenediamine;1,6-Hexanediamine, N,N'-diethyl-;N,N'-Diethyl-1,6-hexanediamine;N1,N6-diethylhexane-1,6-diamine;1,6-BIS(ETHYLAMINO)HEXANE;EINECS 236-006-7;1,6-Hexanediamine, N1,N6-diethyl-;NSC 166319;N,N/'-DIETHYL-1,6-DIAMINOHEXANE;NSC166319;C(CCNCC)CCCNCC;SCHEMBL331540;DTXSID6065349;LDQWVRMGQLAWMN-UHFFFAOYSA-;N,N/'-Diethylhexane-1,6-diamine;MFCD00026707;NSC-166319;CS-0187571;D1305;FT-0636792;D89829

Chemical Property of N,N'-Diethyl-1,6-diaminohexane

Chemical Property:

• Melting Point: 259-260 °C
• Refractive Index: 1.4450-1.4470
• Boiling Point: 233.8 °C at 760 mmHg
• PKA: 11.08±0.19(Predicted)
• Flash Point: 105.1 °C
• PSA: 24.06000
• Density: 0.815 g/cm³
• LogP: 2.54760
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 172.193948774
• Heavy Atom Count: 12
• Complexity: 64.2

Purity/Quality:

98% ^*data from raw suppliers

(6-aminohexyl)diethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNCCCCCCNCC

Technology Process of N,N'-Diethyl-1,6-diaminohexane

There total 8 articles about N,N'-Diethyl-1,6-diaminohexane 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: 75.0%

hexamethylene bisacetamide (3073-59-4) → N,N'-diethylhexamethylenediamine (13093-05-5)

Guidance literature:

With diisobutylaluminium hydride; In toluene; 1) room temperature, 1 h, 2) 60 deg C, overnight;

DOI:10.1080/00397919608003643

Reference yield:

1,6-Hexanediamine (124-09-4) + ethanol (64-17-5) → N-ethylhexane-1,6-diamine (40043-26-3) + N,N'-diethylhexamethylenediamine (13093-05-5) + N,N-diethylhexane-1,6-diamine (13029-29-3)

Guidance literature:

With hydrogen; at 200 ℃; for 8h; under 7500.75 Torr; Product distribution / selectivity;

Reference yield:

1,6-Hexanediamine (124-09-4) + acetaldehyde (75-07-0,9002-91-9) → N,N'-diethylhexamethylenediamine (13093-05-5)

Guidance literature:

With ethanol; platinum; at 25 ℃; under 88260.9 - 110326 Torr; Hydrogenation;

upstream raw materials:

N,N'-diethyl-N,N'-hexanediyl-bis-benzenesulfonamide

1 ,6-dibromohexane

ethylamine

1,6-Hexanediamine

Downstream raw materials:

1,6-bis-(1-ethyl-3-phenylureido-1-yl)hexane

1,6-Bis-(ethyl-dichloracetyl-amino)-hexan

Refernces

• 1、 -. "OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION". Page/Page column 22. . Retrieved 2008/06/13.
• 2、 -. "METHOD FOR PRODUCING N-MONOALKYL-SUBSTITUTED ALKYLENE AMINE". Page/Page column 7-8. . Retrieved 2010/02/11.