3-amino-1-propanol

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:156-87-6

MDL number:MFCD00008223

EINECS number:205-864-4

RTECS number:UA5600000

BRN number:741855

PubChem ID:None

Physical property data

1. Properties: colorless liquid. Hygroscopic.

2. Density (g/mL, 25/4℃): 0.9824

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

4. Melting point (ºC): 10-12

5. Boiling point (ºC, normal pressure): 184-187

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

7. Refractive index (n²⁰): 1.4570

8. Flash point (ºC): 79

9 . Specific rotation (º): Undetermined

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

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): 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 : Miscible with water, ethanol, acetone and chloroform.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 21.01

2. Molar volume (cm³/mol): 79.2

3. Isotonic specific volume (90.2K ): 197.2

4. Surface tension (dyne/cm): 38.4

5. Dielectric constant: not available

6. Dipole moment (10 ^-24cm³): Not available

7. Polarizability: 8.33

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 46.2

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 16.4

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. It is corrosive, can cause burns, and is harmful in contact with skin. Appropriate protective clothing should be worn when using it in large quantities.

Storage method

This product should be sealed and stored away from light.

Synthesis method

1. Obtained from catalytic hydrogenation of β-hydroxypropionitrile. Add β-hydroxypropionitrile, Raney nickel, ethanol, and ammonia into the autoclave, vent hydrogen to 2.94MPa, maintain the hydrogen pressure at 100-120°C, and continue to keep it warm for 2 hours until no hydrogen is absorbed. After the reaction is completed, the temperature is lowered, and Raney Nickel is recovered by filtration. The filtrate is distilled under reduced pressure and the 90-92°C/2.0kPa fraction is collected. The content is over 95% and the yield is close to 70%.

Purpose

1. Available organic synthesis intermediates. Used in the synthesis of cyclophosphamide, cardiodin and other drugs.

2. Used in the synthesis of cyclophosphamide, cardiodin and other drugs, and also used in the synthesis of DL-panthenol

3. Used in organic synthesis