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.
