3-(Azepan-1-yl)propanenitrile

Base Information

• Chemical Name: 3-(Azepan-1-yl)propanenitrile
• CAS No.: 937-51-9
• Molecular Formula: C9H16 N2
• Molecular Weight: 152.239
• Hs Code.: 2933990090
• European Community (EC) Number: 213-330-7
• NSC Number: 73498
• UNII: 5QS8H4WBL8
• DSSTox Substance ID: DTXSID10239546
• Nikkaji Number: J298.529B
• Wikidata: Q83121922
• Mol file: 937-51-9.mol

Synonyms:3-(azepan-1-yl)propanenitrile;937-51-9;3-azepan-1-ylpropanenitrile;3-HEXAMETHYLENEIMINOPROPIONITRILE;3-(Hexamethyleneimino)propionitrile;3-Perhydroazepin-1-ylpropiononitrile;Propionitrile, 3-(hexahydro-1H-azepin-1-yl)-;EINECS 213-330-7;NSC 73498;1H-Azepine-1-propionitrile, hexahydro-;BRN 0110501;3-(Hexahydro-1H-azepin-1-yl)propionitrile;NSC-73498;5-20-04-00037 (Beilstein Handbook Reference);5QS8H4WBL8;NCIOpen2_000466;NCIOpen2_000542;3-(1-azepanyl)propanenitrile;SCHEMBL153467;DTXSID10239546;NSC73498;3-(homopiperidin-1-yl)propionitrile;MFCD00014116;STL257126;AKOS000196808;(Hexahydro-1H-azepine)-1-propanenitrile;AS-59898;LS-124934;CS-0236846;FT-0613782;EN300-173913;Z53116003

Chemical Property of 3-(Azepan-1-yl)propanenitrile

Chemical Property:

• Vapor Pressure: 0.00853mmHg at 25°C
• Refractive Index: 1.4767
• Boiling Point: 266.7°Cat760mmHg
• PKA: 8.32±0.20(Predicted)
• Flash Point: 108.2°C
• PSA: 27.03000
• Density: 0.935g/cm³
• LogP: 1.71398
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.131348519
• Heavy Atom Count: 11
• Complexity: 137

Purity/Quality:

99%, ^*data from raw suppliers

3-Azepan-1-ylpropanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/38:Irritating to eyes and skin.
• Hazard Codes: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/38:Irritating to eyes and skin.
• Statements: 20/21/22-36/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCN(CC1)CCC#N

Technology Process of 3-(Azepan-1-yl)propanenitrile

There total 2 articles about 3-(Azepan-1-yl)propanenitrile 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: 88.0%

hexamethylene imine (111-49-9) + acrylonitrile (107-13-1,25014-41-9) → 3-(Perhydroazepin-1-yl)propionitril (937-51-9)

Guidance literature:

at 20 ℃; for 24h;

DOI:10.1016/j.molliq.2016.06.092

Reference yield:

→ 3-(Perhydroazepin-1-yl)propionitril (937-51-9)

Guidance literature:

Hexamethylenimin, Acrylnitril, NaOCH3, Δ in Bzl. auf 70-80grad;

Reference yield:

3-(Perhydroazepin-1-yl)propionitril (937-51-9) → N-benzoyloxy-3-hexahydroazepin-1-yl-propionamidine; hydrochloride (109597-46-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol; hydroxylamine

2: diethyl ether

With diethyl ether; ethanol; hydroxylamine;

DOI:10.1021/ja01547a076

upstream raw materials:

hexamethylene imine

acrylonitrile

Downstream raw materials:

N-(3-aminopropyl)hexamethyleneimine

N-benzoyloxy-3-hexahydroazepin-1-yl-propionamidine; hydrochloride

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 937-51-9 3-HEXAMETHYLENEIMINOPROPIONITRILE

Send

Send

Metric Ton KG G Pound L ML

Send

Send