Urea-15N2

Base Information

• Chemical Name: Urea-15N2
• CAS No.: 2067-80-3
• Molecular Formula: CH4N2O
• Molecular Weight: 62.0422
• Hs Code.: 28459000
• UNII: JD9TPJ3YLS
• DSSTox Substance ID: DTXSID40436581
• Nikkaji Number: J540.544K
• Wikidata: Q82251869
• Mol file: 2067-80-3.mol

Synonyms:Urea-15N2;2067-80-3;bis(15N)(azanyl)methanone;Urea-15N2 (7CI,8CI,9CI);JD9TPJ3YLS;Urea N-15;UNII-JD9TPJ3YLS;Urea 15N2;HY-Y0271S;DTXSID40436581;MFCD00064399;AKOS015913372;CS-T-62642;MS-22715;CS-0226301;Urea-15N2, 2 atom % 15N, 99% (CP);Urea-15N2, 5 atom % 15N, 99% (CP);Urea-15N2, 60 atom % 15N, 99% (CP);Urea-15N2, 98 atom % 15N, 99% (CP);J-013518;Urea-15N2, >=10 atom % 15N, >=96% (CP)

Chemical Property of Urea-15N2

Chemical Property:

• Melting Point: 132-135 °C(lit.)
• Refractive Index: 1.469
• PSA: 69.11000
• Density: 1.213 g/cm³
• LogP: 0.42440
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 62.02643254
• Heavy Atom Count: 4
• Complexity: 29

Purity/Quality:

99%, ^*data from raw suppliers

Urea-15N2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-40
• Safety Statements: 22-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(N)N
• Isomeric SMILES: C(=O)([15NH2])[15NH2]
• Uses: Labelled Urea. Physiological regulator of nitrogen excretion in mammals; synthesized in the liver as an end-product of protein catabolism and excreted in urine. Also occurs normally in skin. Emollient; diuretic. Urea-15N2 is used In agriculture research as a technique to determine uptake or denitrification and leaching losses of native soil N via the “added N interaction".In horticulture, massive labeling of trees to ascertain that N originating from 15N leaf labeling.

Technology Process of Urea-15N2

There total 8 articles about Urea-15N2 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: 86.6%

bis(phenyl) carbonate (102-09-0) + ammonia (14390-96-6,13767-16-3) → urea-15N2 (2067-80-3)

Guidance literature:

heating in closed tube at 100°C; 4 h; recrystn. from abs. ethanol;

Reference yield:

bis(phenyl) carbonate (102-09-0) → urea-15N2 (2067-80-3)

Guidance literature:

With ¹⁵N-ammonia; copper; at 100 ℃; und Eingiessen der Schmelze in heisses Wasser;

DOI:10.1111/j.1553-2712.2000.tb00483.x

Reference yield:

potassium cyanate (590-28-3) + (15)N labeled ammonium sulfate → urea-15N2 (2067-80-3)

Guidance literature:

In water; evapn. of aq. soln. of KNCO and ((15)NH4)2SO4; extn. with abs. ethanol; recrystn.;

upstream raw materials:

bis(phenyl) carbonate

urea

potassium cyanate

ammonia

Downstream raw materials:

⁽¹⁵⁾N-formamide

[D₃,¹³C,¹⁵N₂]-5-methylpyrimidine-2,4(1H,3H)-dione

isocyanic acid

isocyanic acid

Refernces

• 1、 Buzard,Bishop. "-". . p. 2925. Retrieved 1952.
• 2、 Mailyan, Artur K.,Chen, Joanna L.,Li, Weiwei,Keller, Arturo A.,Sternisha, Shawn M.,Miller, Brian G.,Zakarian, Armen. "Short Total Synthesis of [15N5]-Cylindrospermopsins from 15NH4Cl Enables Precise Quantification of Freshwater Cyanobacterial Contamination". supporting information. p. 6027 - 6032. Retrieved 2018/05/05.