3-amino-1-propanol
Structural formula
| Business number | 03ZX |
|---|---|
| Molecular formula | C3H9NO |
| Molecular weight | 75.11 |
| label |
n-Propanolamine, γ-Propanolamine, 3-hydroxypropylamine; propanolamine, n-Propanolamine, 3-Aminopropyl alcohol, 3-Hydroxy propylamine, γ-Propanolamine |
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
