N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

Base Information

• Chemical Name: N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
• CAS No.: 501-13-3
• Molecular Formula: C14H20 N2 O3
• Molecular Weight: 264.324
• Hs Code.: 2924299090
• Wikidata: Q105252051
• Mol file: 501-13-3.mol

Synonyms:SCHEMBL1675877;AKOS028110688

Chemical Property of N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

Chemical Property:

• Vapor Pressure: 4.37E-11mmHg at 25°C
• Boiling Point: 511.5°Cat760mmHg
• PKA: 9.78±0.35(Predicted)
• Flash Point: 263.2°C
• PSA: 84.58000
• Density: 1.156g/cm³
• LogP: 2.36030
• Solubility.: Water
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 264.14739250
• Heavy Atom Count: 19
• Complexity: 294

Purity/Quality:

99%, ^*data from raw suppliers

Feruloylputrescine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)NCCCCN)O
• Description: Salsola subaphylla contains this alkaloid which is extremely hygroscopic and for which no definite melting point has been obtained. It gives crystalline salts and derivatives, e.g. the hydrochloride, melting over a very wide range of temperature; the hydriodide which behaves similarly to the hydrochloride, picrate, m.p. 218.5°C. On hydrogenation over Pt02 it yields the dihydro derivative giving a hydrochloride, m.p. 139-140oC and a picrate, m.p. 174.6-175°C. When boiled with 30 per cent KOH it forms putrescine and ferulic acid and has the probable structure given above.
• Uses: Feruloylputrescine is an effector of plant root systems, influencing development of nutrient gathering root systems. Inhibition of the formation of this compound causes the development of a dominant or ‘tap’ root.