2,6-diaminopyridine
Structural formula
| Business number | 03UF |
|---|---|
| Molecular formula | C5H7N3 |
| Molecular weight | 109.13 |
| label |
2,6-pyridinediamine, 2,6-diaminoazepine, 2,6-diaminopyrimidine, Diaminopyridine |
Numbering system
CAS number:141-86-6
MDL number:MFCD00006329
EINECS number:205-507-2
RTECS number:US7570000
BRN number:108513
PubChem ID:None
Physical property data
1. Physical property data:
1.Character: flake crystal
2.Flash point (℃): 155
3.Melting point (℃): 121.5
4.Boiling point (ºC): 285
Toxicological data
2. Toxicological data:
1, acute toxicity: mouse abdominal cavity LD50: 100 mg /kg
Mouse intravenous LD50: 56 mg/kg.
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.
Molecular structure data
5. Molecular property data:
1. Molar refractive index:32.81
2. Molar volume (cm3/mol): 87.2
3. Isotonic specific volume (90.2K ):253.0
4. Surface tension (dyne/ cm):70.9
5. Polarizability（10-24cm3):13.00
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.2
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 5
6. Topological molecule polar surface area 64.9
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 66.1
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
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
Stable under normal temperature and pressure.
Incompatible materials:Strong oxidizing agent
Storage method
Store sealed and away from light.
Synthesis method
pyridine or2-Aminopyridines are aminated under more intense conditions.
Purpose
1.2,6- Diaminopyridine is currently mainly used in the production of an analgesic abroad——Phenazopyridine [CAS No.94 -78-0], said to relieve pain, burning and discomfort caused by conditions such as urinary tract infections. The drug is a prescription drug in the United States, an over-the-counter drug in Canada, and has not yet been produced in China. The trade names of this drug in the United States are: Azo-Standard, Baridium, Eridium, Geridium, Phenazodine, Pyridiate, Pyridium, Urodine, Urogesic, Viridium; the trade names of this drug in Canada are: Phenazo, Pyridium.
2.For coupling diazo compounds.
m 0pt 72.75pt; TEXT-INDENT: -54.75pt; TEXT-ALIGN: left; mso-list: l0 level2 lfo1; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto; tab-stops : list 36.0pt 72.75pt” align=”left”>5. Polarizability（10 -24cm3):13.00
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.2
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 5
6. Topological molecule polar surface area 64.9
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 66.1
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
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
Stable under normal temperature and pressure.
Incompatible materials:Strong oxidizing agent
Storage method
Store sealed and away from light.
Synthesis method
pyridine or2-Aminopyridines are aminated under more intense conditions.
Purpose
1.2,6- Diaminopyridine is currently mainly used in the production of an analgesic abroad——Phenazopyridine [CAS No.94 -78-0], said to relieve pain, burning and discomfort caused by conditions such as urinary tract infections. The drug is a prescription drug in the United States, an over-the-counter drug in Canada, and has not yet been produced in China. The trade names of this drug in the United States are: Azo-Standard, Baridium, Eridium, Geridium, Phenazodine, Pyridiate, Pyridium, Urodine, Urogesic, Viridium; the trade names of this drug in Canada are: Phenazo, Pyridium.
2.For coupling diazo compounds.
