4-Dodecylaniline 4-Dodecylaniline

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:104-42-7

MDL number:MFCD00007919

EINECS number:203-201-3

RTECS number:None

BRN number:2646305

PubChem number:24853981

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): 35-39

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 15mmHg): 220-221

7. Refractive index: not determined

8. Flash point (ºC): not determined

9. Ratio Optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg,ºC): Undetermined

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12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC ): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Undetermined OK

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 86.36

2. Molar volume (cm³/mol): 289.5

3. Isotonic specific volume (90.2K ): 707.5

4. Surface tension (dyne/cm): 35.6

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 34.23

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 11

5. Number of tautomers: None

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 182

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain chemical bond stereocenters Quantity: 0

15. Quantity of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

Used in the manufacture of Kaplan Yellow 3GS, Kaplan Pink BS, Kaplan Blue BS and other dyes