4-Guanidinobutanal

Base Information

• Chemical Name: 4-Guanidinobutanal
• CAS No.: 14049-14-0
• Molecular Formula: C5H11 N3 O
• Molecular Weight: 129.162
• DSSTox Substance ID: DTXSID801314006
• Nikkaji Number: J1.191.009B
• Wikidata: Q27102022
• Metabolomics Workbench ID: 50589
• Mol file: 14049-14-0.mol

Synonyms:4-guanidinobutanal;N-(4-oxobutyl)guanidine;1-(4-oxobutyl)guanidine;14049-14-0;4-guanidinobutyraldehyde;2-(4-oxobutyl)guanidine;C02647;SCHEMBL261594;SCHEMBL8114212;CHEBI:16671;DTXSID801314006;AKOS006338151;Q27102022

Chemical Property of 4-Guanidinobutanal

Chemical Property:

• Vapor Pressure: 0.00223mmHg at 25°C
• Boiling Point: 289.2°Cat760mmHg
• Flash Point: 128.7°C
• Density: 1.19g/cm³
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 129.090211983
• Heavy Atom Count: 9
• Complexity: 107

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC=O)CN=C(N)N

Technology Process of 4-Guanidinobutanal

There total 4 articles about 4-Guanidinobutanal 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:

L-arginine (74-79-3,25212-18-4) → 4-guanidinobutyric acid (463-00-3) + γ-guanidino butyraldehyde (14049-14-0)

Guidance literature:

With thia-containing Schiff-base iron(III) complex adsorbed on glassy carbon electrode; Kinetics; Electrochemical reaction; aq. buffer;

DOI:10.1016/j.electacta.2010.10.031

Reference yield:

Arg (7200-25-1,25212-18-4) + N-bromoacetamide (79-15-2) → acetamide (60-35-5) + γ-guanidino butyraldehyde (14049-14-0)

Guidance literature:

With sodium hydroxide; at 30 ℃; Mechanism; Thermodynamic data; activation energy, ΔG(excit.);

Reference yield:

L-arginine (74-79-3,25212-18-4) + chloroamine-T (127-65-1) → γ-guanidino butyraldehyde (14049-14-0) + toluene-4-sulfonamide (70-55-3)

Guidance literature:

With perchloric acid; sodium chloride; In water; at 29.9 ℃; for 24h; Kinetics; Mechanism; Thermodynamic data; ΔH(excit.), ΔS(excit.), ΔG(excit.), E(act.); different concentrations of substrates; influence of varying ionic strength, dielectric constant and temperatures;

upstream raw materials:

Arg

N-bromoacetamide

L-arginine

chloroamine-T

Downstream raw materials:

benzyl (1-(diphenoxyphosphoryl)-4-guanidinobutyl)carbamate

4-guanidinobutyric acid

1,8-Diguanidino-octan