4-Hydroxy-1-methylpiperidine 4-Hydroxy-1-methylpiperidine
Structural formula
| Business number | 02TQ |
|---|---|
| Molecular formula | C6H13NO |
| Molecular weight | 115.17 |
| label |
4-hydroxy-N-methylpiperidine, 1-Methyl-4-piperidinol, N-methyl-4-hydroxypiperidine, 4-Hydroxy-1-methylpiperidine, 1-Methyl-4-piperidino, 1-Methylpiperidinol-(4), 4-Piperidinol, 1-methyl-, N-Methylpiperidol, 1-Hydroxy-4-methylpiperidine, 1-Methyl-4-piperidinol, 1-Methyl-4-piperidinol HCL, 1-Methyl-4-piperidinolhydrocholoride |
Numbering system
CAS number:106-52-5
MDL number:MFCD00006500
EINECS number:203-406-8
RTECS number:None
BRN number:103024
PubChem ID:None
Physical property data
1. Properties: yellow or white crystals.
2. Density (g/mL, 25℃): 0.98
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 29-31
5. Boiling point (ºC, normal pressure): 200
6. Boiling point (ºC, kPa): Undetermined
7. Refractive index (D20): 1.479
8. Flash point (ºC): 87
9. Specific rotation (ºC): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 25ºC): 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: Not determined
Toxicological data
None yet
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 32.92
2. Molar volume (cm3/mol): 114.4
3. Isotonic specific volume (90.2K ): 281.9
4. Surface tension (dyne/cm): 36.7
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Pole Transformation rate: 13.05
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.1
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 23.5
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 66.9
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 oxidants and water.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire, heat and water sources. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills. The “five pairs” management system for extremely toxic substances should be strictly implemented.
Synthesis method
Prepared by nickel-catalyzed hydrogenation of 1-methyl-4-piperidone.
Purpose
Intermediates of phenthiidine and cyproheptadine hydrochloride.
