6-aminonicotinic acid amide
Structural formula
| Business number | 048Q |
|---|---|
| Molecular formula | C6H7N3O |
| Molecular weight | 137.14 |
| label |
6-aminonicotinic acid amide, 2-Aminopyridine-5-carboxamide, 6-Amino-3-pyridinecarboxamide, 6-Aminonicotinamide, 6-aminovitamin PP, 2-Aminopyridine-5-carbixamide, 6-Amino-3-pyridine carboxamide |
Numbering system
CAS number:329-89-5
MDL number:MFCD00006327
EINECS number:206-349-7
RTECS number:US4550000
BRN number:116042
PubChem ID:None
Physical property data
1. Properties: White crystalline powder.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 245-248
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined Determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (kPa, 25ºC): Not determined
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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit ( %, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Slightly soluble in water, insoluble in general Organic solvents.
Toxicological data
2. Toxicological data:
Acute toxicity: Not available.
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 37.51
2. Molar volume (cm3/mol): 103.6
3. Isotonic specific volume (90.2K ): 301.6
4. Surface tension (dyne/cm): 71.8
5.� Polarizability (10-24cm3): 14.87
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 7
6. Topological molecule polar surface area 82
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 137
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
1. It may cause congenital abnormalities. Avoid inhaling the dust of this product when using it, and avoid contact with eyes and skin.
Storage method
This product should be sealed and stored away from light.
Synthesis method
None yet
Purpose
1. Organic synthesis. Dye intermediates.