(3-Hydroxypropyl)urea

Base Information

• Chemical Name: (3-Hydroxypropyl)urea
• CAS No.: 16517-53-6
• Molecular Formula: C4H10 N2 O2
• Molecular Weight: 118.136
• DSSTox Substance ID: DTXSID10167850
• Nikkaji Number: J1.492.512K
• Wikidata: Q83037340
• Mol file: 16517-53-6.mol

Synonyms:(3-Hydroxypropyl)urea;3-hydroxypropylurea;16517-53-6;Urea, (3-hydroxypropyl)-;BRN 2038523;1-(3-hydroxypropyl)urea;SCHEMBL193545;DTXSID10167850;AKOS009096248;LS-160345;CS-0261419;EN300-78436;Z198194722

Chemical Property of (3-Hydroxypropyl)urea

Chemical Property:

• Vapor Pressure: 0.00102mmHg at 25°C
• Boiling Point: 268.7°C at 760 mmHg
• Flash Point: 116.3°C
• Density: 1.161g/cm³
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 118.074227566
• Heavy Atom Count: 8
• Complexity: 74.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CNC(=O)N)CO

Technology Process of (3-Hydroxypropyl)urea

There total 3 articles about (3-Hydroxypropyl)urea 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:

N-benzyl-N'-(3-hydroxy-propyl)-urea (104096-61-9) → (3-hydroxy-1-propyl)urea (16517-53-6)

Guidance literature:

With hydrogen; palladium; In acetic acid;

DOI:10.1016/S0040-4039(00)02289-9

Reference yield:

potassium cyanate (590-28-3) + propan-1-ol-3-amine (156-87-6) → (3-hydroxy-1-propyl)urea (16517-53-6)

Guidance literature:

With hydrogenchloride; In water;

DOI:10.1055/s-0040-1707391

Reference yield:

→ (3-hydroxy-1-propyl)urea (16517-53-6)

Guidance literature:

Nitroharnstoff, Aminopropanol;

DOI:10.1021/jo00795a020

upstream raw materials:

N-benzyl-N'-(3-hydroxy-propyl)-urea

potassium cyanate

propan-1-ol-3-amine

Downstream raw materials:

2,4-imidazolidinedione

2-(3-hydroxypropyl)-2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-dione

1-(3-hydroxypropyl)-4,6-dimethyl-3a,6a-diphenyl-5-thioxooctahydroimidazo[4,5-d]imidazol-2-one