2-Amino-4-methylpyrimidine 2-Amino-4-methylpyrimidine

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:108-52-1

MDL number:MFCD00006101

EINECS number:203-591-5

RTECS number:UV6485000

BRN number:108506

PubChem number:24891109

Physical property data

1. Properties: Brown crystalline powder.

2. Density (g/mL, 25℃): 1

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

4. Melting point (ºC): 158-160

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

6. Boiling point (ºC, kPa): Undetermined

p>

7. Refractive index (_D²⁰): Not determined

8. Flash point (ºC): Not determined

9. Specific rotation (ºC): Undetermined

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

11. Vapor pressure (mmHg, ºC): Undetermined

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

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

1. Acute toxicity: rat intravenous LD50: 730mg/kg;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 31.49

2. Molar volume (cm³/mol): 94.4

3. Isotonic specific volume (90.2K ): 259.0

4. Surface tension (dyne/cm): 56.6

5. Polarizability (10-24cm3): 12.48

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.3

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds�:0

5. Number of tautomers: 6

6. Topological molecule polar surface area 51.8

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 74.1

10. Number of isotope atoms: 0

11. Determine the atoms Number of stereocenters: 0

12. Uncertain number of stereocenters of atoms: 0

13. Determined 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

Avoid contact with oxides.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. The packaging requires sealing and should be stored separately from oxidants. Mixed storage is strictly prohibited. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None

Purpose

None