2,4-diaminodiphenylamine

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:136-17-4

mdl number:mfcd00025285

einecs number:none

rtecs number:dc1954000

brn number:none

pubchem id:none

physical property data

none

toxicological data

acute toxicity data :

mouse vein ld50：56mg/kg

ecological data

none

molecular structure data

molecular property data:

1, molar refractive index：64.09

2、 molar volume（m³/mol):160.0

3、 isotonic specific volume（90.2k）：452.2

4、 surface tension(3.0 dyne/cm) ：63.7

5、 polarizability（0.5 10^-24cm³):25.41

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.1

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 64.1

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 189

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

molecular property data:

1, molar refractive index：64.09

2、 molar volume（m³/mol):160.0

polarizability(0.5 10^-24cm³):25.41

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.1

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 64.1

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 189

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

molecular property data:

1, molar refractive index：64.09

2、 molar volume（m³/mol):160.0

3、 isotonic specific volume（90.2k）：452.2

4、 surface tension(3.0 dyne/cm) ：63.7

5、 polarizability（0.5 10^-24cm³):25.41

storage method

none

synthesis method

none

purpose

none

rmal style=”background: white; margin: 0cm 0cm 0pt 80.25pt; text-indent: -54.75pt; line-height: 13.5pt; text-align: left; mso-margin-top-alt: auto; mso-margin -bottom-alt: auto; mso-pagination: wi-orphan; tab-stops: list 36.0pt” align=left>3, isotonic specific volume（90.2k）：452.2

4、 surface tension(3.0 dyne/cm) ：63.7

5、 polarizability（0.5 10^-24cm³):25.41

storage method

none

synthesis method

none

purpose

none