Cytosine

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:71-30-7

MDL number:MFCD00006034

EINECS number:200-749-5

RTECS number:UW7350150

BRN number:2637

PubChem ID:None

Physical property data

1. Properties: White flaky crystals. 2. Density (g/mL, 25/4℃): 0.48

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

4. Melting point (ºC):> 300

5. Boiling point (ºC, normal pressure): Uncertain

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

7. Refractive index : Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

10. Autoignition point or Ignition temperature (ºC): Uncertain

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

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain Determine

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Uncertain

17. The upper limit of explosion (%, V/V): Uncertain

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

19. Solubility: 100ml water dissolves 0.77g at 20°C. Slightly soluble in ethanol, insoluble in ether

Toxicological data

Acute toxicity: mouse abdominal LD50: >2222 mg/kg;

Ecological data

None

Molecular structure data

1. Molar refractive index: 27.30

2. Molar volume (cm³/mol): 71.5

3. Isotonic specific volume (90.2K ): 206.3

4. Surface tension (dyne/cm): 69.2

5. Polarizability (10-24cm3): 10.82

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 9

6. Topological molecule polar surface area 67.5

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 170

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be stored in a sealed, cool, dry and dark place.

Synthesis method

It can be synthesized from dimercaptouracil, concentrated ammonia and chloroacetic acid as raw materials.

Purpose

For biochemical research. Both cytosine nucleoside and cytosine nucleotide can be used as drugs to increase white blood cells.

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