3-[4-(2-Cyanoethylamino)butylamino]propanenitrile

Base Information

• Chemical Name: 3-[4-(2-Cyanoethylamino)butylamino]propanenitrile
• CAS No.: 14209-32-6
• Molecular Formula: C₁₀H₁₈N₄
• Molecular Weight: 194.28
• European Community (EC) Number: 635-072-8
• Mol file: 14209-32-6.mol

Synonyms:14209-32-6;3-[4-(2-cyanoethylamino)butylamino]propanenitrile;Propanenitrile, 3,3'-(1,4-butanediyldiimino)bis-;N,N'-DICYANOETHYL-1,4-BUTANEDIAMINE;Propionitrile, 3,3'-(tetramethylenediimino)di-;3,3'-(1,4-Butanediyldiimino)bis[propanenitrile];SCHEMBL1273487;1,10-Dicyano-3,8-diazadecan;VBZTYCGWACGYJD-UHFFFAOYSA-N;AKOS006243247;FT-0666653;N,N'-Bis-(2-cyanoethyl)-1,4-diaminobutane;3,3'-(butane-1,4-diylbis(azanediyl))dipropanenitrile;3-({4-[(2-CYANOETHYL)AMINO]BUTYL}AMINO)PROPANENITRILE

Chemical Property of 3-[4-(2-Cyanoethylamino)butylamino]propanenitrile

Chemical Property:

• Boiling Point: 187-196°C@0.7mm
• PKA: 8.82±0.19(Predicted)
• Density: 0.981±0.06 g/cm3(Predicted)
• Solubility.: Chloroform, Methanol,
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 194.153146591
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

N,N’-Dicyanoethyl-1,4-butanediamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCNCCC#N)CNCCC#N
• Uses: N,N’-Dicyanoethyl-1,4-butanediamine (cas# 14209-32-6) is a compound useful in organic synthesis.

Technology Process of 3-[4-(2-Cyanoethylamino)butylamino]propanenitrile

There total 3 articles about 3-[4-(2-Cyanoethylamino)butylamino]propanenitrile 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: 100.0%

1,4-diaminobutane (110-60-1) + acrylonitrile (107-13-1,25014-41-9) → 3-(4-[(2-cyanoethyl)amino]butylamino)propanenitrile (14209-32-6)

Guidance literature:

In methanol; at 0 - 20 ℃; for 18h;

Reference yield:

bromopropionitrile (2417-90-5) + 1,4-diaminobutane (110-60-1) → 3-(4-[(2-cyanoethyl)amino]butylamino)propanenitrile (14209-32-6)

Guidance literature:

In benzene;

DOI:10.1002/hlca.19730560106

Reference yield:

→ 3-(4-[(2-cyanoethyl)amino]butylamino)propanenitrile (14209-32-6)

Guidance literature:

DOI:10.1002/jlcr.2590110121

upstream raw materials:

1,4-diaminobutane

acrylonitrile

bromopropionitrile

Downstream raw materials:

N⁴,N⁹-di(tert-butyloxycarbonyl)-3-(4-[(2-cyanoethyl)amino]butylamino)propanenitrile

C₄₀H₅₄Br₄N₄O₈

C₄₀H₅₂Br₆N₄O₈

C₄₀H₅₂Br₆N₄O₈