Methyl nicotinate Methyl nicotinate
Structural formula
| Business number | 026K |
|---|---|
| Molecular formula | C7H7NO2 |
| Molecular weight | 137.14 |
| label |
3-Methyl picolinate, Nicotinic acid methyl eater, 3-Pyridinecarboxylin acid methyl ester |
Numbering system
CAS number:93-60-7
MDL number:MFCD00006388
EINECS number:202-261-8
RTECS number:QT1925000
BRN number:113951
PubChem number:24886399
Physical property data
1. Properties: Colorless crystals.
2. Density (g/mL, 25/4℃): 1.137
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 42.5
5. Boiling point (ºC, normal pressure): 2046. Boiling point (ºC) (3 mmHg): 70~72℃ (399.966Pa)
7 . Refractive index: Undetermined
8. Flash point (ºC): 959. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol ): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (polymer) Log value of the partition coefficient (alcohol/water): Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V ): Undetermined
19. Solubility: Soluble in water, ethanol and benzene.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 36.11
2. Molar volume (cm3/mol): 120.5
3. Isotonic specific volume (90.2K ): 306.2
4. Surface tension (dyne/cm): 41.6
5. Polarizability (10-24cm3): 14.31
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 39.2
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 125
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. Uncertain Chemistry��Number of stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Found in flue-cured tobacco leaves and burley tobacco leaves.
Storage method
This product should be kept sealed.
Synthesis method
1. Tobacco: BU, 9; FC, 40. Prepared by passing hydrogen chloride gas through a hot methanol solution of niacin.
Purpose
Biochemical research. Medical redness emitting agent.