N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide

Base Information

• Chemical Name: N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
• CAS No.: 29554-26-5
• Molecular Formula: C₁₃H₁₈N₂O₃
• Molecular Weight: 250.298
• DSSTox Substance ID: DTXSID60331448
• Wikidata: Q105146022
• Mol file: 29554-26-5.mol

Synonyms:(E)-N-Caffeoylputrescine;29554-26-5;N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide;SCHEMBL1675934;DTXSID60331448;CHEBI:182693;FT-0700696

Chemical Property of N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide

Chemical Property:

• Vapor Pressure: 1.64E-12mmHg at 25°C
• Melting Point: 254.5°C
• Refractive Index: 1.6450 (estimate)
• Boiling Point: 545.5°C at 760 mmHg
• PKA: 9.41±0.10(Predicted)
• Flash Point: 283.7°C
• PSA: 99.07000
• Density: 1.233g/cm³
• LogP: 2.50670
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 250.13174244
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

≥90% ^*data from raw suppliers

N-Caffeoylputrescine, ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)NCCCCN)O)O
• Uses: Caffeoylputrescine is an impurity of Spermidine (S680400) a biogenic polyamine formed from putrescine. Spermidine is a precursor of Spermine. Spermidine is essential for both normal and neoplastic tissue growth.

Technology Process of N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide

There total 1 articles about N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide 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:

→ N-caffeoylputrescine (29554-26-5,26148-06-1)

Guidance literature:

Acetylcaffeoylputrescin, alkalische Hydrolyse;