N-Methyl-1,3-propanediamine

Base Information

• Chemical Name: N-Methyl-1,3-propanediamine
• CAS No.: 6291-84-5
• Molecular Formula: C4H12N2
• Molecular Weight: 88.1527
• Hs Code.: 29212900
• European Community (EC) Number: 228-544-6
• NSC Number: 8160
• UN Number: 1993
• UNII: 4YP367238K
• DSSTox Substance ID: DTXSID5064201
• Nikkaji Number: J25.750H
• Wikidata: Q27260683
• ChEMBL ID: CHEMBL174165
• Mol file: 6291-84-5.mol

Synonyms:N-Methyl-1,3-propanediamine;6291-84-5;N-methylpropane-1,3-diamine;N-Methyl-1,3-diaminopropane;3-(Methylamino)propylamine;1,3-Propanediamine, N-methyl-;(3-Aminopropyl)methylamine;3-Aminopropylmethylamine;N'-methylpropane-1,3-diamine;N-Methyl-1,3-propylenediamine;N-Methyltrimethylenediamine;3-Methylaminopropylamine;1-Amino-3-(methylamino)propane;3-Amino-1-(methylamino)propane;N1-methylpropane-1,3-diamine;N1-methyl-1,3-Propanediamine;1,3-Propanediamine, N1-methyl-;NSC 8160;N-Methyl-propane-1,3-diamine;EINECS 228-544-6;AI3-25443;UNII-4YP367238K;NSC-8160;4YP367238K;NSC8160;methylaminopropylamine;MFCD00008209;1, N-methyl-;(3-aminopropyl)(methyl)amine;N'-methyl-1,3-propanediamine;N-methyl-1,3-propane diamine;CHEMBL174165;DTXSID5064201;N1-methyl-propane-1,3-diamine;QHJABUZHRJTCAR-UHFFFAOYSA-;BBL011479;N-(3-AMINOPROPYL)METHYLAMINE;N-Methyl-1,3-diaminopropane, 98%;STL146591;AKOS000121348;3-(METHYLAMINO)-1-PROPYLAMINE;CS-W011350;N-(3-AMINOPROPYL)-N-METHYLAMINE;1-(N-METHYLAMINO)-3-AMINOPROPANE;BP-30183;LS-119902;A8685;AM20100546;FT-0636071;M0599;EN300-21155;Q-100724;Q27260683;3-(Methylamino)propylamine, technical, >=97.0% (GC);F2187-1264;N-methyl-1,3-propanediamine 1000 microg/mL in Acetonitrile;N3D

Chemical Property of N-Methyl-1,3-propanediamine

Chemical Property:

• Appearance/Colour: Colourless Liquid with Ammonia odour
• Vapor Pressure: 6.26mmHg at 25°C
• Melting Point: -72 °C
• Refractive Index: n20/D 1.447(lit.)
• Boiling Point: 140 °C at 760 mmHg
• PKA: 10.60±0.10(Predicted)
• Flash Point: 35.6 °C
• PSA: 38.05000
• Density: 0.823 g/cm³
• LogP: 0.64580
• Storage Temp.: Flammables area
• Solubility.: Completely miscible in water
• Water Solubility.: 1000g/L at 25℃
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 88.100048391
• Heavy Atom Count: 6
• Complexity: 21.5
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

N-Methyl-1,3-propanediamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C,Xi
• Hazard Codes: F,C,Xi
• Statements: 10-20/21/22-34
• Safety Statements: 16-26-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCCN
• Recent EU Clinical Trials: A Clinical Study to Evaluate the Safety and Effectiveness of NOVOCART? 3D plus Compared to Microfracture in the Treatment of Articular Cartilage Defects of the Knee.
• Uses: N-Methyl-1,3-diaminopropane (MeDAP) has been used as a structure directing molecule in the synthesis of two crystalline aluminophosphates. It has also been used in the synthesis of an intermediate of alfuzosin and lapyrium chloride with lipases as catalysts.

Technology Process of N-Methyl-1,3-propanediamine

There total 9 articles about N-Methyl-1,3-propanediamine 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: 79.1%

N-(2-cyanoethyl)-N-methylamine (693-05-0) → N-Methyl-1,3-propanediamine (6291-84-5)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; Solvent; Reflux;

Reference yield:

methanol (67-56-1) + Trimethylenediamine (109-76-2,54018-94-9) → 1-amino-3-(dimethylamino)propane (109-55-7) + 1,3-bis(methylamino)propane (111-33-1) + N-Methyl-1,3-propanediamine (6291-84-5)

Guidance literature:

With Cs-P-Si; at 300 ℃; under 61504.9 Torr;

DOI:10.1021/ja048557s

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Trimethylenediamine (109-76-2,54018-94-9) → N-Methyl-1,3-propanediamine (6291-84-5)

Guidance literature:

formaldehyd; Trimethylenediamine; In ethanol; at 80 ℃; for 12h; Schlenk technique; Inert atmosphere;

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 2h; Schlenk technique; Inert atmosphere;

DOI:10.1021/jacs.1c00503

upstream raw materials:

N-(2-cyanoethyl)-N-methylamine

1-methyl-1-(β-cyanoethyl)hydrazine

2-ethylsulfanyl-3-methyl-3H-pyrimidin-4-one

ethanol

Downstream raw materials:

N₁-methyl-N₃-phthalyl-1,3-propanediamine

1,1'-dimethyl-1,4,5,6,1',4',5',6'-octahydro-2,2'-(4,4'-furan-2,5-diyl-diphenyl)-bis-pyrimidine

1-methyl-2-phenylhexahydropyrimidine

N-Methyl-N'-[1-phenyl-meth-(E)-ylidene]-propane-1,3-diamine

Refernces

The investigation of stereogenic properties of cyclotriphosphazene derivatives with two different chiral centres

10.1016/j.poly.2011.03.028

The research investigates the stereogenic properties of cyclotriphosphazene derivatives with two different chiral centers. The purpose is to explore the geometric isomers and racemic forms of these compounds, which have potential applications in various fields due to their chirality. Key chemicals used include hexachlorocyclotriphosphazene (N3P3Cl6) and gem-disubstituted cyclotriphosphazene derivatives (N3P3Cl4X2, where X = Ph, PhS, PhNH), which were reacted with N-methyl-1,3-propanediamine and 3-amino-1-propanol to produce compounds with two different stereogenic phosphorus atoms. The geometric isomers were separated and characterized using techniques such as X-ray crystallography, 31P and 1H NMR spectroscopy, and chiral HPLC. The study confirmed that these compounds exist as cis and trans geometric isomers and as two different racemic isomers. The enantiomers of the racemic compounds were analyzed using a chiral solvating agent (CSA) and chiral HPLC methods developed for this study. The conclusions highlight the successful synthesis and characterization of these chiral cyclotriphosphazene compounds, providing insights into their stereogenic properties and potential uses in chiral chemistry.

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