2,5-diethoxyaniline

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:94-85-9

mdl number:mfcd00015144

einecs number:202-369-5

rtecs number:none

brn number:880466

pubchem number:24874398

physical property data

1. characteristics: undetermined

2. density (g/ml, 20℃): 1.034

3. relative vapor density (g/ml, air=1) : undetermined

4. melting point (ºc): 85-88

5. boiling point (ºc, normal pressure): undetermined

6. boiling point ( ºc, 30mmhg): 190-192

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific rotation degree (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. 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

ecological data

none

molecular structure data

1. molar refractive index: 53.11

2. molar volume (cm³/mol): 172.7

3. isotonic specific volume (90.2k ): 426.0

4. surface tension (dyne/cm): 37.0

5. polarizability (10-24cm3): 21.05

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: 3

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 44.5

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 141

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

storage method

none

synthesis method

none

purpose

used fororganic synthesis.

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