2-Amino-4-methylpyrimidine 2-Amino-4-methylpyrimidine
Structural formula
| Business number | 02XD |
|---|---|
| Molecular formula | C5H7N3 |
| Molecular weight | 109.13 |
| label |
Timtec-Bb Sbb004343, 2-Amino-4-Methyl-Pyrimidin, 2-Pyrimidinamine, 4-Methyl-, 4-Methyl-2-Pyrimidinamine, 6-Methyl-2-Pyrimidinamine, Pyrimidine, 2-Amino-4-Methyl-, 2-Amino-4-Methylpyrimidine, 2-Amino-4-Methyl-1,3-Diazine |
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
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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
