Structural formula
| Business number | 02KC |
|---|---|
| Molecular formula | C9H13BrN2O2 |
| Molecular weight | 261.12 |
| label |
3-Dimethylcarbamoyloxy-1-methylpyridine bromide, 3-(Dimethylaminocarbonyloxy)-1-methylpyridinium bromide |
Numbering system
CAS number:101-26-8
MDL number:MFCD00079283
EINECS number:202-929-9
RTECS number:UU5270000
BRN number:None
PubChem number:24277865
Physical property data
1. Characteristics: glossy colorless crystals.
2. Density (g/mL,30): Undetermined
3. Relative vapor density (g/mL,Air =1): Undetermined
4. Melting point (ºC): 152~154
5. Boiling point (ºC,normal pressure): Undetermined
6. Boiling point (ºC,0.266KPa): Undetermined
7. Refractive index: Undetermined
8. Flashpoint (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,25ºC): 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. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
17. Explosion upper limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V�rning: 0pt; mso-bidi-font-family: 宋体”>11. Vapor pressure (mmHg,25ºC): 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. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
17. Explosion upper limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Soluble in ethanol and water. Almost insoluble in ether, acetone and benzene.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
None yet
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 33.4
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 183
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: 2
Properties and stability
None yet
Storage method
Store in a sealed, cool, dry and dark place.
Synthesis method
None yet
Purpose
Organic Synthesis. Pharmaceutical raw materials.
��: Undetermined
19. Solubility:Soluble in ethanol and water. Almost insoluble in ether, acetone and benzene.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
None yet
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 33.4
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 183
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: 2
Properties and stability
None yet
Storage method
Store in a sealed, cool, dry and dark place.
Synthesis method
None yet
Purpose
Organic Synthesis. Pharmaceutical raw materials.
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