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
