N-Octadecylurea

Base Information

• Chemical Name: N-Octadecylurea
• CAS No.: 2158-08-9
• Deprecated CAS: 110175-59-2
• Molecular Formula: C19H40 N2 O
• Molecular Weight: 312.539
• Hs Code.: 2924199090
• European Community (EC) Number: 218-477-0
• NSC Number: 16075
• UNII: KT35TVW7Q2
• DSSTox Substance ID: DTXSID9062221
• Nikkaji Number: J191.805B
• Wikidata: Q72508873
• Mol file: 2158-08-9.mol

Synonyms:N-Octadecylurea;Octadecylurea;2158-08-9;N-N-Octadecylurea;1-Octadecylurea;Urea, octadecyl-;N-Stearylurea;Urea, N-octadecyl-;stearylurea;KT35TVW7Q2;NSC-16075;NSC16075;UNII-KT35TVW7Q2;N-Octadecylurea, AldrichCPR;SCHEMBL947042;DTXSID9062221;EINECS 218-477-0;MFCD00043623;NSC 16075;AKOS015839794;CS-0213375;FT-0676052;O0209;T72081;A911389

Chemical Property of N-Octadecylurea

Chemical Property:

• Vapor Pressure: 3.59E-07mmHg at 25°C
• Melting Point: 110°C
• Boiling Point: 417.3°Cat760mmHg
• Flash Point: 206.2°C
• PSA: 55.12000
• Density: 0.888g/cm³
• LogP: 7.00740
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 17
• Exact Mass: 312.314063904
• Heavy Atom Count: 22
• Complexity: 232

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Octadecylurea >97.0%(N) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCNC(=O)N

Technology Process of N-Octadecylurea

There total 9 articles about N-Octadecylurea 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: 88.0%

potassium cyanate (590-28-3) + 1-aminooctadecane (124-30-1) → octadecylurea (2158-08-9)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; at 55 ℃;

DOI:10.1002/chem.202102950

Reference yield:

urea (57-13-6) + 1-aminooctadecane (124-30-1) → octadecylurea (2158-08-9)

Guidance literature:

at 160 ℃;

DOI:10.1021/ja01644a034

Reference yield:

nitrourea (556-89-8) + 1-aminooctadecane (124-30-1) → octadecylurea (2158-08-9)

Guidance literature:

With ethanol;

DOI:10.1163/156939300X01076

upstream raw materials:

octadecyl isocyanate

potassium cyanate

octadecylamine hydrochloride

n-Octadecanal

Refernces

• 1、 Yao, Shun,Brahmi, Robin,Portier, Fran?ois,Putaux, Jean-Luc,Chen, Jing,Halila, Sami. "Hierarchical Self-Assembly of Amphiphilic β-C-Glycosylbarbiturates into Multiresponsive Alginate-Like Supramolecular Hydrogel Fibers and Vesicle Hydrogel". supporting information. p. 16716 - 16721. Retrieved 2021/10/19.