Structural formula
| Business number | 03BD |
|---|---|
| Molecular formula | C9H10N2O4 |
| Molecular weight | 210.19 |
| label |
N-(4-methoxy-2-niphenyl)acetamide, 4-methoxy-2-nitroacetanilide, Fragrance |
Numbering system
CAS number:119-81-3
MDL number:MFCD00017018
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Characteristics: Yellow needle crystal
2. Density (g/mL,25℃): Undetermined
3. Relative vapor density (g/mL,air=1): Undetermined
4. Melting point (ºC):116- 117
5. Boiling point (ºC,normal pressure): Undetermined
6. Boiling point (ºC, KPa): Undetermined
7. Refractive index: Undetermined
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,ºC): 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 limit (%,V/V): Undetermined
m3/mol):158.3
3、 Isotonic specific volume (90.2K) ：423.1
4, Surface Tension (dyne/cm):50.9
5、 Polarizability (10-24cm3):21.30
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 3
6. Topological molecule polar surface area 84.2
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 251
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
Avoid contact with strong oxidants.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and water. should be kept away from oxidizer, do not store together. Equipped with corresponding varieties and quantities of fire protection equipment.
Synthesis method
None
Purpose
None
Number of bonds: 1
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 2
5. Number of tautomers :3
6. Topological molecule polar surface area 84.2
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 251
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Uncertain atoms Number of stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
Avoid contact with strong oxidants.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and water. should be kept away from oxidizer, do not store together. Equipped with corresponding varieties and quantities of fire protection equipment.
Synthesis method
None
Purpose
None
