3-Methoxydiphenylamine 3-Methoxydiphenylamine
Structural formula
| Business number | 02K6 |
|---|---|
| Molecular formula | C13H13NO |
| Molecular weight | 199.25 |
| label |
N-(3-Methoxyphenyl)-N-Phenylamine, CH3OC6H4NHC6H5 |
Numbering system
CAS number:101-16-6
MDL number:MFCD00008383
EINECS number:202-921-5
RTECS number:None
BRN number:None
PubChem number:24856686
Physical property data
1. Characteristics: Undetermined
2. Density (g/mL, 25℃): Undetermined
3. Relative vapor density (g/mL, air=1 ): Undetermined
4. Melting point (ºC): 72-74
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 2mmHg): 160
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20ºC): Not determined
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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 62.30
2. Molar volume (cm3/mol): 179.4
3. Isotonic specific volume (90.2K ): 457.2
4. Surface tension (dyne/cm): 42.1
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 24.69
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.4
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 21.3
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 177
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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
Used as dye, pharmaceutical and rubber intermediates.
