dihydrothymine

Dihydrothymine structural formula

Structural formula

Business number 07AS
Molecular formula C5H8N2O2
Molecular weight 128.13
label

5,6-dihydrothymine,

5,6-dihydro-5-methyluracil,

5,6-Dihydro-5-methyl-2,4-dihydroxypyrimidine,

5,6-Dihydro-5-methyluracil,

nucleic acid

Numbering system

CAS number:696-04-8

MDL number:MFCD00023159

EINECS number:211-787-7

RTECS number:None

BRN number:81983

PubChem number:24857735

Physical property data

1. Characteristics: white solid.


2. Density (g/mL,25/4): Undetermined


3. Relative vapor density (g/mL,air=1): Undetermined


4. Melting point (ºC): 263-266


5. Boiling point (ºC,Normal pressure): Undetermined


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive Index: Undetermined


8. Flash Point (ºC): Undetermined


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturated vapor pressure (kPa,60ºC): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Logarial value of the partition coefficient of water: undetermined


17. Explosion upper limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Undetermined .

Toxicological data

None yet

Ecological data

Usually not harmful to water, Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 30.11


2. Molar volumem3/ mol111.5


3. isotonic ratio90.2K265.4


4. Surface Tensiondyne/cm32.1


5. Dielectric constant:


6. Dipole moment10 -24cm3)


7. Polarizability: 11.93

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.6

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

p>

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 8

6. Topological molecule polar surface area 58.2

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 155

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Keep away from oxides, heat and open flames.

Storage method

Store in an airtight container and place Store in a cool, dry place. Store away from oxidizing agents.

Synthesis method

Purpose

None yet

Resource:allhdi.com

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.polyether-factory.com/archives/21101

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