Pentylurea

Base Information

• Chemical Name: Pentylurea
• CAS No.: 38869-91-9
• Molecular Formula: C6H14N2O
• Molecular Weight: 130.19
• Hs Code.: 2924199090
• European Community (EC) Number: 254-168-7
• UNII: PJD1H5449P
• DSSTox Substance ID: DTXSID70192123
• Nikkaji Number: J3.503C
• Wikidata: Q27286589
• Mol file: 38869-91-9.mol

Synonyms:Pentylurea;38869-91-9;N-Amylurea;Urea, pentyl-;Urea, N-amyl-;N-Pentylurea;EINECS 254-168-7;BRN 1749459;UNII-PJD1H5449P;PJD1H5449P;Urea, N-pentyl-;Amylharnstoff;Amylurea;pentyl urea;SCHEMBL28947;DTXSID70192123;AKOS000156464;LS-158855;Q27286589

Chemical Property of Pentylurea

Chemical Property:

• Vapor Pressure: 0.331mmHg at 25°C
• Boiling Point: 200.1°Cat760mmHg
• Flash Point: 74.8°C
• PSA: 56.11000
• Density: 0.948g/cm³
• LogP: 1.74960
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 130.110613074
• Heavy Atom Count: 9
• Complexity: 83.1

Purity/Quality:

99% ^*data from raw suppliers

pentylurea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCNC(=O)N

Technology Process of Pentylurea

There total 11 articles about Pentylurea 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: 87.0%

pentyl cyanamide (32847-48-6) → pentylurea (38869-91-9)

Guidance literature:

With hydrogenchloride;

Reference yield: 70.0%

potassium cyanate (590-28-3) + n-Pentylamine (110-58-7) → pentylurea (38869-91-9)

Guidance literature:

With ammonium chloride; In water; at 130 ℃; for 0.166667h; Microwave irradiation; Sealed tube;

DOI:10.1002/ejoc.202101059

Reference yield: 45.0%

sodium cyanide (143-33-9,25596-52-5) + n-Pentylamine (110-58-7) → pentyl cyanamide (32847-48-6) + pentylurea (38869-91-9) + 2-(pentylamino)hexanonitrile (87888-06-0)

Guidance literature:

With sodium hydroxide; sodium persulfate; In water; at 70 ℃; for 4.5h; Product distribution;

DOI:10.1007/BF00959201

upstream raw materials:

bromocyane

n-Pentylamine

1-methyl-1-nitrosourea

nitrourea

Downstream raw materials:

5,5-diethyl-1-pentyl-barbituric acid

3-Benzoyl-1-n-pentylharnstoff