N-propylazepan-1-amine

Base Information

• Chemical Name: N-propylazepan-1-amine
• CAS No.: 3437-33-0
• Molecular Formula: C9H20 N2
• Molecular Weight: 156.271
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10955911
• Wikidata: Q82935705
• Mol file: 3437-33-0.mol

Synonyms:N-propylazepan-1-amine;DTXSID10955911

Chemical Property of N-propylazepan-1-amine

Chemical Property:

• Vapor Pressure: 0.0625mmHg at 25°C
• Boiling Point: 222°Cat760mmHg
• Flash Point: 85.4°C
• PSA: 29.26000
• Density: 0.9g/cm³
• LogP: 1.84940
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 156.162648646
• Heavy Atom Count: 11
• Complexity: 85.6

Purity/Quality:

97% ^*data from raw suppliers

3-(1-Azepanyl)-1-propanamine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNN1CCCCCC1
• Uses: 3-(1-Azepanyl)-1-propanamine refinement of structural leads for centrally acting oxime reactivators of phosphylated cholinesterases.

Technology Process of N-propylazepan-1-amine

There total 5 articles about N-propylazepan-1-amine 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: 55.0%

1-(3-aminopropyl)hexahydro-1H-azepin-2-one (24566-95-8,468745-51-9) → N-(3-aminopropyl)hexamethyleneimine (3437-33-0)

Guidance literature:

With diisobutylaluminium hydride; In hexane; 1.) 25 deg C, 10 h, 2.) reflux, 1 h;

DOI:10.1021/ja00404a035

Reference yield: 40.0%

2-(3-(azepan-1-yl)propyl)isoindoline-1,3-dione (1201218-91-8) → N-(3-aminopropyl)hexamethyleneimine (3437-33-0)

Guidance literature:

With hydrazine hydrate; In ethanol; for 3h; Reflux;

DOI:10.1002/cmdc.201600362

Reference yield:

3-(Perhydroazepin-1-yl)propionitril (937-51-9) → N-(3-aminopropyl)hexamethyleneimine (3437-33-0)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/ja01547a076

upstream raw materials:

3-(Perhydroazepin-1-yl)propionitril

1-(3-aminopropyl)hexahydro-1H-azepin-2-one

hexamethylene imine

2-(3-(azepan-1-yl)propyl)isoindoline-1,3-dione

Downstream raw materials:

N-[4-(3-Azepan-1-yl-propylamino)-6-trichloromethyl-[1,3,5]triazin-2-yl]-N'-(4-chloro-phenyl)-guanidine

N-(3-(azepan-1-yl)propyl)-1-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methyl)piperidine-4-carboxamide

perfluorophenyl 4-(4-(4-(5-(3-(azepan-1-yl)propylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl)benzoyl)benzamido)-1-methyl-1H-pyrrole-2-carboxylate

3-(azepan-1-yl)-N-benzyl-N-methylpropan-1-amine

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