1,3-Diethylurea

Base Information

• Chemical Name: 1,3-Diethylurea
• CAS No.: 623-76-7
• Molecular Formula: C5H12N2O
• Molecular Weight: 116.163
• Hs Code.: 2924199090
• European Community (EC) Number: 210-811-3
• NSC Number: 429
• UNII: 1JWC8EN6FM
• DSSTox Substance ID: DTXSID90211365
• Nikkaji Number: J9.446C
• Wikidata: Q72462264
• Mol file: 623-76-7.mol

Synonyms:1,3-Diethylurea;623-76-7;N,N'-Diethylurea;sym-Diethylurea;Urea, N,N'-diethyl-;UREA, 1,3-DIETHYL-;Urea, N,N'-diethyl (9CI);Urea, N,N'-diethyl;sym-N,N'-Diethylurea;NSC 429;EINECS 210-811-3;MFCD00009028;1JWC8EN6FM;BRN 1744741;NSC-429;NSC429;Urea, diethyl-;Urea,3-diethyl-;Urea,N'-diethyl-;1,3-diethyl-urea;1,3-Diethyl urea;Diethylurea symmetrical;Diethylurea, 1,3-;UNII-1JWC8EN6FM;1,3-Diethylurea, 97%;SCHEMBL320068;DTXSID90211365;AMY25735;STK369707;AKOS000313642;CS-W013607;AS-11967;BP-30076;SY001914;LS-159777;D0534;FT-0606660;EN300-117567;F11262;A833747;W-105001

Chemical Property of 1,3-Diethylurea

Chemical Property:

• Vapor Pressure: 0.0106mmHg at 25°C
• Melting Point: 112-113 °C(lit. )
• Refractive Index: 1.428
• Boiling Point: 263 °C at 760 mmHg
• PKA: 16.53±0.46(Predicted)
• Flash Point: 121.1 °C
• PSA: 41.13000
• Density: 0.923 g/cm³
• LogP: 1.10720
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Soluble in water.
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 116.094963011
• Heavy Atom Count: 8
• Complexity: 64.8

Purity/Quality:

97% ^*data from raw suppliers

1,3-Diethylurea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, T
• Hazard Codes: F,T
• Statements: 11-23/24/25-36/37/38
• Safety Statements: 22-24/25-36/37/39-15-3/7/9

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Urea Compounds
• Canonical SMILES: CCNC(=O)NCC
• General Description: 1,3-Diethylurea is identified as one of the products formed during the adsorption of ethyl isocyanate on silica immersed in carbon tetrachloride, particularly under conditions where the silica surface has a higher hydroxyl population. Its formation is enhanced by increased surface hydroxylation, while the competing reaction leading to surface urethane is diminished. This suggests that 1,3-diethylurea arises from interactions involving multiple surface silanol groups and ethyl isocyanate, likely through intermediate steps such as ethylamine formation and subsequent reactions.

Technology Process of 1,3-Diethylurea

There total 45 articles about 1,3-Diethylurea 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: 100.0%

ethylamine (75-04-7,85404-22-4) + S-methyl N-ethylthiocarbamate (39076-43-2) → methylthiol (74-93-1) + N,N'-diethylurea (623-76-7)

Guidance literature:

In water; at 40 ℃; for 8h;

Reference yield: 98.5%

ethyl isocyanate (109-90-0) → N,N'-diethylurea (623-76-7)

Guidance literature:

With water; triethylamine; In 1,4-dioxane; at 20 ℃; for 0.05h;

DOI:10.1081/SCC-200061656

Reference yield: 96.0%

S,S-dimethyl dithiocarbonate (868-84-8) + ethylamine (75-04-7,85404-22-4) → N,N'-diethylurea (623-76-7)

Guidance literature:

In water; at 60 ℃; for 5h;

DOI:10.1055/s-2007-990813

upstream raw materials:

propionyl azide

ethylcarbamic 2-hydroxyethylester

N',N'''-diethyl-N,N''-m-phenylene-di-urea

N-ethyl-N'-biphenyl-4-yl-urea

Downstream raw materials:

N-ethylacetamide

N',N'-Dimethyl-N-ethylurea

N-(ethylcarbamoyl)-4-methylbenzenesulfonamide

ethylamine