n,n’-di-sec-butylphenylenediamine n,n’-di-sec-butyl-p-phenylenediamine

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:101-96-2

mdl number:mfcd00043658

einecs number:202-992-2

rtecs number:ss9040000

brn number:2805827

pubchem id:none

physical property data

1. characteristics: undetermined

2. density (g/ml, 20℃): undetermined

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

4. melting point (ºc): 17.8

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

6. boiling point (ºc) , 7mmhg): 159

7. refractive index: 1.539

8. flash point (ºc): 100

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

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15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit (%, v/v): undetermined

18. lower explosion limit (%, v/v): undetermined

19. solubility: undetermined

toxicological data

1. skin/eye irritation: standard dresser test: rabbit skin contact, 500μl/24hreaction severity, strong reaction; standard dresser test: rabbit eye contact, 100μl/24hreaction severity, strong reaction; 2. acute toxicity: large rat oral ld50: 148mg/kg; rat inhalation lclo: 600mg/m3/6h; rabbit skin contact ld50: 2806mg/kg; guinea pig skin contact ld50: 5mg/kg; mammalian peritoneal cavity ld50: 10ml/kg ;

ecological data

none yet

molecular structure data

1. molar refractive index: 73.18

2. molar volume (cm³/mol): 228.1

3. isotonic specific volume (90.2k ): 558.5

4. surface tension (dyne/cm)��35.9

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 29.01

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 4.5

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 6

5. number of tautomers: none

6. topological molecule polar surface area 24.1

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 154

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 2

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

none yet