Dihexylamine

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:143-16-8

MDL number:MFCD00009521

EINECS number:205-588-4

RTECS number:IH6600000

BRN number:1738519

PubChem number:24848001

Physical property data

1. Properties: colorless liquid.

2. Relative density (g/mL, 20/4ºC): 0.786

3. Refractive index (20ºC): 1.433

4. Flash point ( ºC): 95

5. Melting point (ºC): 3

6. Boiling point (ºC, 101.3KPa): 236

7. Solubility: Energy Soluble in alcohol and ether, slightly soluble in water.

Toxicological data

1. Acute toxicity: rat oral LD50: 380 mg/kg; mouse intravenous LD50: 10 mg/kg;

Rabbit transdermal LD50: 170 uL/kg.

2. It is toxic if taken orally. Toxic in contact with skin. It is corrosive and can cause burns.

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 61.23

2. Molar volume (cm³/mol): 235.4

3. Isotonic specific volume (90.2K ): 537.5

4. Surface tension (dyne/cm): 27.1

5. Polarizability (10^-24cm³): 24.27

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.5

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 10

5. Number of tautomers: none

6. Topological molecule polar surface area 12

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 71.2

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

Stable under normal temperature and pressure. It is corrosive and protective clothing should be worn when using it.

Storage method

Save in a sealed place away from light.

Synthesis method

None

Purpose

Used for solvent��, pharmaceutical industry, organic synthesis intermediates.