1,6-Diaminohexane-1,6-13C2

Base Information

• Chemical Name: 1,6-Diaminohexane-1,6-13C2
• CAS No.: 286012-98-4
• Molecular Formula: C₆H₁₆N₂
• Molecular Weight: 120.171
• European Community (EC) Number: 685-268-2
• DSSTox Substance ID: DTXSID50583999
• Wikidata: Q82475621
• Mol file: 286012-98-4.mol

Synonyms:1,6-Diaminohexane-1,6-13C2;286012-98-4;(1,6-13C2)hexane-1,6-diamine;1,6-Hexanediamine-1,6-13C2;Hexamethylenediamine-1,6-13C2;DTXSID50583999;MFCD00083985;(1,6-~13~C_2_)Hexane-1,6-diamine;1,6-Diaminohexane-1,6-13C2, 99 atom % 13C

Chemical Property of 1,6-Diaminohexane-1,6-13C2

Chemical Property:

• Melting Point: 42-45 °C(lit.)
• Boiling Point: 204-205 °C(lit.)
• Flash Point: 80 °C
• PSA: 52.04000
• Density: 0.905 g/mL at 25 °C
• LogP: 1.86480
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 118.138058190
• Heavy Atom Count: 8
• Complexity: 31.5

Purity/Quality:

1,6-DIAMINOHEXANE-1,6-13C2 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCN)CCN
• Isomeric SMILES: C(CC[13CH2]N)C[13CH2]N

Technology Process of 1,6-Diaminohexane-1,6-13C2

There total 2 articles about 1,6-Diaminohexane-1,6-13C2 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:

[cyano-13C2,15N2]1,4-dicyanobutane → [15N2]-1,6-diamino[1,6-13C2]hexane (286012-98-4,287476-10-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; Heating;

DOI:10.1016/j.bmc.2005.05.023

Reference yield:

<1,6-(13)C2>-adiponitrile (109432-72-6) → 1,6-diamino[1,6-13C2]hexane (286012-98-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; Heating;

DOI:10.1016/j.bmc.2005.05.023

upstream raw materials:

<1,6-(13)C2>-adiponitrile

Refernces