n,n’-di-sec-butylphenylenediamine n,n’-di-sec-butyl-p-phenylenediamine
structural formula
| business number | 02ld |
|---|---|
| molecular formula | c14h24n2 |
| molecular weight | 220.35 |
| label |
n,n’-di-sec-butyl-1,4-phenylenediamine, n,n’-di-sec-butyl-p-phenylenediamine |
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