Structural formula
| Business number | 01TE |
|---|---|
| Molecular formula | C13H15N3O2 |
| Molecular weight | 245.28 |
| label |
4-acetamidoantipyrine, N-acetyl-4-aminophenazone, N-acetyl-4-aminoantipyrine, 4-acetamidoantipyrine, N-Acetyl-4-aminophenazone, 4-Acetamidoantipyrine |
Numbering system
CAS number:83-15-8
MDL number:MFCD00003141
EINECS number:201-457-0
RTECS number:None
BRN number:None
PubChem number:24890565
Physical property data
1. Properties: light yellow crystal.
2. Density (g/mL, 25/4?): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 200-203
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: Soluble in water and ethanol, appropriate amount It is soluble in hot ethyl acetate and chloroform, slightly soluble in benzene, and insoluble in naphtha.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 68.21
2. Molar volume (cm3/mol): 194.1
3. Isotonic specific volume (90.2K): 525.9
4. Surface tension (dyne/cm): 53.8
5. Polarizability (10-24cm3): 27.04
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP):??
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 2
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5. Number of tautomers: 2
6. Topological molecule polar surface area 52.6
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 397
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determined number of chemical bond stereocenters: 0
14. Uncertain chemical bond stereocenters Number of centers: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
Should be kept sealed, dry and protected from light.
Synthesis method
None yet
Purpose
1. Organic synthesis.
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