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

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