Tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazin-2(1H)-one

Base Information

• Chemical Name: Tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazin-2(1H)-one
• CAS No.: 2580-58-7
• Molecular Formula: C5H11 N3 O2
• Molecular Weight: 145.161
• Hs Code.: 2933699090
• European Community (EC) Number: 219-944-1
• NSC Number: 47881
• UNII: 7AK92A3D35
• DSSTox Substance ID: DTXSID20180459
• Nikkaji Number: J32.475B
• Wikidata: Q83050999
• ChEMBL ID: CHEMBL1391511
• Mol file: 2580-58-7.mol

Synonyms:2580-58-7;5-(2-hydroxyethyl)-1,3,5-triazinan-2-one;Tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazin-2(1H)-one;MLS000736631;7AK92A3D35;EINECS 219-944-1;NSC-47881;1,3,5-Triazin-2(1H)-one, tetrahydro-5-(2-hydroxyethyl)-;NSC47881;SCHEMBL268537;UNII-7AK92A3D35;CHEMBL1391511;DTXSID20180459;HMS2886I17;NSC 47881;AKOS006346859;NCGC00246819-01;SMR000528227;5-(2-Hydroxyethyl)hexahydro-1,3,5-triazin-2-one;Tetrahydro-5-(2-hydroxyethyl)-s-triaz-2(1H)-one;1-(.BETA.-HYDROXYETHYL)-4-OXOHEXAHYDRO-1,3,5-TRIAZINE;5-(2-Hydroxyethyl)-1,2,3,4,5,6-hexahydro-1,3,5-triazine-2-one

Chemical Property of Tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazin-2(1H)-one

Chemical Property:

• Vapor Pressure: 9.05E-10mmHg at 25°C
• Melting Point: 158-162 °C
• Boiling Point: 444.5°Cat760mmHg
• PKA: 14.56±0.10(Predicted)
• Flash Point: 222.6°C
• PSA: 64.60000
• Density: 1.198g/cm³
• LogP: -0.89600
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 145.085126602
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1NC(=O)NCN1CCO

Technology Process of Tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazin-2(1H)-one

There total 5 articles about Tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazin-2(1H)-one 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: 35.0%

C6H15NO3 + urea (57-13-6) → 2-keto-5-(2-hydroxyethyl)-tetrahydro-1,3,5-triazine (2580-58-7)

Guidance literature:

With samarium(III) chloride hexahydrate; In ethanol; chloroform; at 60 ℃; for 6h;

DOI:10.1134/S1070428015010200

Reference yield: 25.0%

bis-(dimethylamino)methane (51-80-9) + ethanolamine (141-43-5) + urea (57-13-6) → 2-keto-5-(2-hydroxyethyl)-tetrahydro-1,3,5-triazine (2580-58-7)

Guidance literature:

With copper(II) choride dihydrate; In ethanol; chloroform; at 80 ℃; for 8h;

DOI:10.1134/S1070428013060171

Reference yield: 23.0%

N,N′-bis[(dimethylamino)methyl]urea (52663-01-1) + ethanolamine (141-43-5) → 2-keto-5-(2-hydroxyethyl)-tetrahydro-1,3,5-triazine (2580-58-7)

Guidance literature:

With SmCl₃*6H₂O; In ethanol; at 80 ℃; for 8h;

DOI:10.1134/S1070428013060171

upstream raw materials:

N,N′-bis[(dimethylamino)methyl]urea

ethanolamine

bis-(dimethylamino)methane

urea

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