2-(N-Cyclohexylamino)ethanesulfonic acid 2-Cyclohexylaminoethanesulfonic Acid

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:103-47-9

MDL number:MFCD00003835

EINECS number:203-115-6

RTECS number:None

BRN number:2967601

PubChem number:24892541

Physical property data

1. Properties: colorless liquid

2. Density (g/mL, 20℃): 0.9737

3. Relative vapor density (g/mL, air=1 ): Undetermined

4. Melting point (ºC): -5.5

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

6. Boiling point ( ºC, 100.5KPa): 194

7. Refractive index: 1.4421

8. Flash point (ºC): 78

9. Specific rotation (º ): Undetermined

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

11. Vapor pressure (mmHg, 20ºC): Undetermined

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: Compatible with water and ethanol , ether miscibility

Toxicological data

None yet

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 51.02

2. Molar volume (cm³/mol): 168.2

3. Isotonic specific volume (90.2K ): 443.7

4. Surface tension (dyne/cm): 48.8

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 20.22

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -1.2

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 74.8

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 226

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

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

Avoid contact with strong oxidizing agents.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Produced from the hydrolysis of 2,5-dimethylfuran. Another synthesis method is to react sodium ethyl acetoacetate with pure iodine to form diethyl diacetyl succinate, which is then hydrolyzed with 10% sodium hydroxide solution. The reaction solution was saturated with anhydrous potassium carbonate to precipitate acetone. Extract with diethyl ether, evaporate the diethyl ether from the extract, distill the residue, and collect the 192-194°C fraction to obtain a colorless product.

Purpose

Used as high boiling point solvent for synthetic resins, nitrocellulose spray paints, colorants, printing inks, etc., leather tanning preparations, rubber vulcanization accelerators and Pesticides and pharmaceutical raw materials.