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Urea-13C (6CI,9CI)

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Name

Urea-13C (6CI,9CI)

EINECS N/A
CAS No. 58069-82-2 Density 1.212 g/cm3
PSA 69.11000 LogP 0.42440
Solubility N/A Melting Point 132-135 °C(lit.)
Formula CH4N2O Boiling Point N/A
Molecular Weight 61.0446 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 58069-82-2 (UREA-13C) Hazard Symbols N/A
Synonyms

Urea-13C(7CI);Urea-13C, Research grade, 99 atom% 13C;Urea-13C USP(CRM standard);Urea-13C, UBT Grade;Urea-13C - Research Grade;

Article Data 8

Urea-13C (6CI,9CI) Synthetic route

potassium <13C>cyanate

58069-82-2

13C urea

Conditions
ConditionsYield
With ammonium sulfate; ammonium hydroxide at 70℃; for 4h;87%
1071435-30-7

trichloro[13C]methyl phenyl sulfide

A

58069-82-2

13C urea

B

286013-04-5

(13C)-guanidine hydrochloride

Conditions
ConditionsYield
Stage #1: trichloro[13C]methyl phenyl sulfide With ammonia In ethanol; dichloromethane; water at -80 - 20℃; for 72.5h;
Stage #2: With hydrogenchloride; water
A 49%
B 47%

<13CO>-N-methyl-N-nitrosourea (MNU)

B

58069-82-2

13C urea

C

7456-87-3

carbonic acid monomethyl ester

D

118832-13-6

[13C]cyanic acid

E

carbonate ion

F

(13)CH2NO5P(2-)

Conditions
ConditionsYield
With sodium hydroxide; phosphate buffer In methanol; water at 22℃; Product distribution; other reagents, temperature;

ammonium sulfate

potassium <13C>cyanate

58069-82-2

13C urea

Conditions
ConditionsYield
recrystn. from ethanol;
93-56-1

phenylethane 1,2-diol

58069-82-2

13C urea

4-phenyl (2-13C)-1,3-dioxolan-2-one

Conditions
ConditionsYield
With iron(II) bromide In 1,4-dioxane at 150℃; for 18h; Inert atmosphere; Sealed tube;90%
58069-82-2

13C urea

201996-37-4

13C3-cyanuric acid

Conditions
ConditionsYield
In sulfolane at 205℃; under 100 Torr; for 2h;88.4%
In sulfolane; cyclohexanol at 50 - 200℃;87%
With sulfolane; cyclohexanol at 60 - 210℃; for 3h;
58069-82-2

13C urea

[13C2,15N3]5,6-diaminopyrimidine-2,4(1H,3H)-dione hemisulfate

[13C3,15N3]uric acid

Conditions
ConditionsYield
at 190℃; for 2h;80%
58069-82-2

13C urea

C2(13)C2H6O2N4

Conditions
ConditionsYield
With hydrogenchloride In water at 85 - 90℃;78%
58069-82-2

13C urea

52263-88-4

methyl (2RS)-2-(6-chloro-9H-carbazol-2-yl)propanoate

C16(13)CH16N2O2

Conditions
ConditionsYield
With nickel(II) acetylacetonate; potassium fluoride; phenylsilane; zinc; bis(2-diphenylphosphinoethyl)phenylphosphine In 1-methyl-pyrrolidin-2-one at 90 - 140℃; for 20h;75%
58069-82-2

13C urea

105-56-6

ethyl 2-cyanoacetate

6-amino[2-13C]uracil

Conditions
ConditionsYield
With sodium ethanolate In ethanol for 5h; Heating;74%

Urea-13C (6CI,9CI) Specification

The CAS register number of Urea-13C (6CI,9CI) is 58069-82-2. It also can be called as Urea-13C - Research Grade and the IUPAC name about this chemical is diaminomethanone. The molecular formula about this chemical is CH4N2O and the molecular weight is 61.06. It belongs to the following product categories which include Carbon-13 Salts; cGMPStable Isotopes; Alphabetical Listings; Stable Isotopes; U-Z and so on. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with water. It is stable under normal temperature and pressure.

Physical properties about Urea-13C (6CI,9CI) are: (1)Index of Refraction: 1.468; (2)Molar Refractivity: 13.78 cm3; (3)Molar Volume: 49.5 cm3; (4)Polarizability: 5.46x10-24cm3; (5)Surface Tension: 55.3 dyne/cm; (6)Density: 1.212 g/cm3.

Preparation: this chemical can be prepared by potasium [13C]cyanate. This reaction will need reagent of (NH4)2SO4, aq. NH4OH. The reaction time is 4 hours with reaction temperature of 70 °C. The yield is about 87%.

Urea-13C (6CI,9CI) can be prepared by potasium [13C]cyanate.

Uses of Urea-13C (6CI,9CI): it can be used to produce 6-amino[2-13C]uracil with cyanoacetic acid ethyl ester. This reaction will need reagent of EtONa and solvent of ethanol. This reaction needs heating. The reaction time is 5 hours. The yield is about 74%.

Urea-13C (6CI,9CI) can be used to produce 6-amino[2-13C]uracil with cyanoacetic acid ethyl ester.

You can still convert the following datas into molecular structure:
(1)SMILES: C(=O)(N)N
(2)InChI: InChI=1/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+1
(3)InChIKey: XSQUKJJJFZCRTK-OUBTZVSYEV
(4)Std. InChI: InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+1
(5)Std. InChIKey: XSQUKJJJFZCRTK-OUBTZVSYSA-N

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