Octaylamine Octaylamine

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:111-86-4

MDL number:MFCD00008247

EINECS number:203-916-0

RTECS number:RG8050000

BRN number:1679227

PubChem number:24886765

Physical property data

1. Properties: colorless liquid

2. Density (g/mL, 20℃): 0.78

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

4. Melting point (ºC): 0

5. Boiling point (ºC, normal pressure): 179.6

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index _(n²⁰_D): 1.4292

8. Flash point (ºC): 62

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, 25ºC): 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 . The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

17. The upper limit of explosion (%, V/V): Undetermined

18. The lower limit of explosion (%) ,V/V): Undetermined

19. Solubility: Slightly soluble in water, easily soluble in ethanol or ether.

Toxicological data

LD50: 100 mg/kg (mouse abdominal cavity)

Ecological data

Highly toxic to fish.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 42.64

2. Molar volume (cm³/mol): 164. .2

3. Isotonic specific volume (90.2K): 379.4

4. Surface tension (dyne/cm): 28.4

5. Polarizability ( 10^-24cm³): 16.90

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: None

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 43.8

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 number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Highly toxic to fish.

2. Exist in oriental tobacco leaves and mainstream smoke.

3. Highly toxic!

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, acids, and food chemicals, and avoid mixed storage. 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

1. Prepared by reaction of octanoic acid and ammonia, dehydration and hydrogenation.

2. Tobacco: OR, 18.

Purpose

Uses: Used as intermediates for pesticides, surfactants, and pharmaceutical synthesis.