dihydrothymine
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 volume（m3/ mol）：111.5
3. isotonic ratio（90.2K）：265.4
4. Surface Tension（dyne/cm）：32.1
5. Dielectric constant:
6. Dipole moment（10 -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
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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
