Aminopropylcadaverine

Base Information

• Chemical Name: Aminopropylcadaverine
• CAS No.: 56-19-9
• Molecular Formula: C₈H₂₁N₃
• Molecular Weight: 159.275
• DSSTox Substance ID: DTXSID40204565
• Nikkaji Number: J575.711H
• Wikidata: Q27133504
• Metabolomics Workbench ID: 41900
• ChEMBL ID: CHEMBL89035
• Mol file: 56-19-9.mol

Synonyms:3-APCAD;aminopropylcadaverine;N-(3-aminopropyl)cadaverine

Chemical Property of Aminopropylcadaverine

Chemical Property:

• Vapor Pressure: 0.0114mmHg at 25°C
• Boiling Point: 261.7°Cat760mmHg
• Flash Point: 129.3°C
• PSA: 64.07000
• Density: 0.901g/cm³
• LogP: 1.84530
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 159.173547683
• Heavy Atom Count: 11
• Complexity: 66.4

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCN)CCNCCCN

Technology Process of Aminopropylcadaverine

There total 3 articles about Aminopropylcadaverine 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-(2-cyanoethyl)-1,5-diaminopentane (35513-95-2) → aminopropylcadaverine (56-19-9)

Guidance literature:

With ammonia; hydrogen; nickel; In ethanol;

DOI:10.1021/jm00336a006

Reference yield:

1,5-diaminopentane (462-94-2) → aminopropylcadaverine (56-19-9)

Guidance literature:

Multi-step reaction with 2 steps

2: H₂, NH₃ / Ni / ethanol

With ammonia; hydrogen; nickel; In ethanol;

DOI:10.1021/jm00336a006

Reference yield:

→ aminopropylcadaverine (56-19-9)

Guidance literature:

With ammonia;

upstream raw materials:

N-(2-cyanoethyl)-1,5-diaminopentane

1,5-diaminopentane

Refernces