Allylamine

Base Information

• Chemical Name: Allylamine
• CAS No.: 107-11-9
• Deprecated CAS: 1561105-23-4
• Molecular Formula: C3H7N
• Molecular Weight: 57.0953
• Hs Code.: 2921.19
• European Community (EC) Number: 203-463-9
• ICSC Number: 0823
• NSC Number: 7600
• UN Number: 2334
• UNII: 48G762T011
• DSSTox Substance ID: DTXSID8024440
• Nikkaji Number: J4.053C
• Wikipedia: Allylamine
• Wikidata: Q417414
• ChEMBL ID: CHEMBL57286
• Mol file: 107-11-9.mol

Synonyms:3 Aminopropylene;3-Aminopropylene;Allylamine

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Chemical Property of Allylamine

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 4.09 psi ( 20 °C)
• Melting Point: -88 °C
• Refractive Index: 1.4205
• Boiling Point: 54.3 °C at 760 mmHg
• PKA: 9.49(at 25℃)
• Flash Point: -28 °C
• PSA: 26.02000
• Density: 0.763 g/cm³
• LogP: 0.83140
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• Solubility.: miscible with water, alcohol, chloroform and ether
• Water Solubility.: miscible
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 57.057849228
• Heavy Atom Count: 4
• Complexity: 17.2
• Transport DOT Label: Poison Inhalation Hazard Flammable Liquid

Purity/Quality:

Safty Information:

• Pictogram(s): F,T,N
• Hazard Codes: F,T,N
• Statements: 11-23/24/25-51/53
• Safety Statements: 9-16-24/25-45-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Other Toxic Gases & Vapors
• Canonical SMILES: C=CCN
• Inhalation Risk: A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: Lachrymation. The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion. Inhalation may cause lung oedema. Exposure could cause severe swelling of the throat. The substance may cause effects on cardiovascular system and nervous system. This may result in cardiac disorders and impaired functions. The effects may be delayed. Medical observation is indicated.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis. The substance may have effects on the respiratory tract and lungs. This may result in chronic inflammation and impaired functions.
• Description: Allylamine is a primary unsaturated alkylamine and in this review refers to monoallylamine. Allylamine can also be used generically to describe the secondary (diallyl-) and tertiary (triallyl-) amine derivatives of monoallylamine, as well as other more complex alkylamines. Allylamine is a colorless, flammable liquid and is volatile and reactive with oxidizing materials. Allylamine has a strong ammonia odor, is acutely toxic by all routes of exposure, and produces cardiotoxicity in a manner that has been well characterized by in vivo and in vitro methods. In addition to its use as an industrial chemical, allylamine is utilized as a model compound for basic research investigations into mechanisms of cardiovascular disease based on the nature of the cardiac and vascular lesions observed following allylamine exposure.
• Uses: In the manufacture of mercurial diuretics. Allylamine ismanufactured fromallyl chloride andammonia. It is used as a solvent and in organic syntheses, including the synthesis of rubber, mercurial diuretics, sedatives, and antiseptics (238). It is also used in the synthesis of ion-exchange resins. Allylamine is used as an industrial solvent and in organic synthesis, including rubber vulcanization, synthesis of ionexchange resins, and as an intermediate in pharmaceutical synthesis. Derivatives of allylamine are utilized as both veterinary and human pharmaceuticals, including the antifungal agent terbinafine. Allylamine has been used since the 1940s as a research tool for investigations of cardiovascular disease, with the earliest studies using allylamine to induce initial vascular injury in animal models of atherogenesis. Additionally, allylamine has been used to model myocardial infarction and vascular injury in animal models of human cardiovascular disease.

Technology Process of Allylamine

There total 84 articles about Allylamine 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: 96.0%

Propargylamine (2450-71-7) → 1-amino-2-propene (107-11-9,30551-89-4)

Guidance literature:

With 2,6-bis[1-(2,6-diisopropylphenylimino)ethyl]pyridine cobalt(II) dichloride; diethoxymethylane; sodium triethylborohydride; In neat (no solvent); at -78 - 40 ℃; for 1h;

DOI:10.1021/acscatal.6b02272

Reference yield: 87.0%

3-amino-1,2-epoxypropane (5689-75-8) → 1-amino-2-propene (107-11-9,30551-89-4)

Guidance literature:

With sodium iodide; tin(ll) chloride; In ethanol; for 0.05h; Reflux; Green chemistry;

DOI:10.1055/s-0034-1378821

Reference yield: 82.0%

N-allyl-N'-phenylhydrazine (71056-34-3) → 1-amino-2-propene (107-11-9,30551-89-4)

Guidance literature:

With titanium(III) chloride; water; In tetrahydrofuran; pH=10; Reflux; Alkaline aq. solution; Inert atmosphere;

DOI:10.1039/c1ob05328k

upstream raw materials:

allyl iodid

2,3-dibromopropan-1-amine

hexamethylenetetramine

allyl bromide

Downstream raw materials:

2-(allylamino)ethanol

2,2′-(prop-2-en-1-ylimino)diethanol

N⁴-allyl-pyrimidine-4,6-diyldiamine

3-phthalimido-1-propene

Refernces

• 1、 Them, Kolja,Ellermann, Frowin,Pravdivtsev, Andrey N.,Salnikov, Oleg G.,Skovpin, Ivan V.,Koptyug, Igor V.,Herges, Rainer,H?vener, Jan-Bernd. "Parahydrogen-Induced Polarization Relayed via Proton Exchange". supporting information. p. 13694 - 13700. Retrieved 2021/09/07.
• 2、 Fiorio, Jhonatan Luiz,Gon?alves, Renato Vitalino,Teixeira-Neto, Erico,Ortu?o, Manuel A.,López, Núria,Rossi, Liane Marcia. "Accessing Frustrated Lewis Pair Chemistry through Robust Gold@N-Doped Carbon for Selective Hydrogenation of Alkynes". . p. 3516 - 3524. Retrieved 2018/04/14.