Perhydroazonine

Base Information

• Chemical Name: Perhydroazonine
• CAS No.: 5661-71-2
• Molecular Formula: C8H17 N
• Molecular Weight: 127.23
• Hs Code.: 2933998090
• European Community (EC) Number: 227-115-0
• NSC Number: 91021,90799,74469
• DSSTox Substance ID: DTXSID00205179
• Nikkaji Number: J139.316B
• Wikidata: Q83078669
• Mol file: 5661-71-2.mol

Synonyms:Octamethyleneimine;Azonane;5661-71-2;Perhydroazonine;Azacyclononane;1H-Azonine, octahydro-;Octamethylenimine;Octahydro-1H-azonine;EINECS 227-115-0;octahydroazonin;Octahydroazonine;1-Azacyclononane;Azonane #;NSC74469;NCIOpen2_001490;SCHEMBL22649;DTXSID00205179;NSC90799;NSC91021;MFCD00053378;NSC 74469;NSC 90799;NSC 91021;NSC-74469;NSC-90799;NSC-91021;AKOS006221000;BS-23817;O0285;EN300-246757;T72630;Z1203730912

Chemical Property of Perhydroazonine

Chemical Property:

• Vapor Pressure: 0.576mmHg at 25°C
• Melting Point: 148-149℃
• Refractive Index: 1.4777 (589.3 nm 20℃)
• Boiling Point: 189.2°Cat760mmHg
• PKA: 11.33±0.20(Predicted)
• Flash Point: 61.4°C
• PSA: 12.03000
• Density: 0.817g/cm³
• LogP: 2.25900
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 127.136099547
• Heavy Atom Count: 9
• Complexity: 53.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

Octamethyleneimine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 34-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCNCCC1

Technology Process of Perhydroazonine

There total 9 articles about Perhydroazonine 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: 98.0%

2-azacyclononanone (935-30-8) → azonane (5661-71-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 70 ℃; for 16h;

DOI:10.1021/jo016101c

Reference yield:

2-azacyclononanone (935-30-8) + borane tetrahydrofuran → azonane (5661-71-2)

Guidance literature:

With hydrogenchloride; sodium hydroxide; potassium carbonate; In tetrahydrofuran; water;

Reference yield:

8-indolizidinone (2407-98-9,15912-41-1) → azonane (5661-71-2) + octahydro-azonin-5-ol

Guidance literature:

With sulfuric acid; water; at 60 ℃; bei der elektrochemischen Reduktion;

DOI:10.1021/ja01138a053

upstream raw materials:

2-azacyclononanone

1-aza-2-cyclononanthione

8-indolizidinone

1-Oxooctahydroindolizine

Downstream raw materials:

C₃₅H₄₄N₂O₄

C₄₅H₅₃N₃O₅

1,8-Octanediol

C₂₁H₂₄F₃N