N-Benzyl-N-methylethanolamine N-Benzyl-N-methylethanolamine
Structural formula
| Business number | 02LF |
|---|---|
| Molecular formula | C10H15NO |
| Molecular weight | 165.23 |
| label |
N-Benzyl-N-methylethanolamine, 2-(N-Benzyl-N-methylamino)ethanol, N-Benzyl-N-methylethanolamine, N-methyl-N-hydroxyethylbenzylamine, N-hydroxyethyl-N-methylbenzylamine, 2-(N-Benzyl-N-methylamino)ethanol, C6H5CH2N(CH3)CH2CH2OH |
Numbering system
CAS number:101-98-4
MDL number:MFCD00002847
EINECS number:202-994-3
RTECS number:None
BRN number:366412
PubChem number:24862653
Physical property data
1. Properties: liquid.
2. Density (g/mL, 25℃): 1.017
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 2mmHg): 95-105
p>
7. Refractive index: 1.529
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20ºC): Not determined
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. Log value of oil-water (octanol/water) distribution coefficient: Undetermined
17. Explosion upper limit (%, V/V ): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None yet
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 50.32
2. Molar volume (cm3/mol): 160.0
3. Isotonic specific volume (90.2K ): 405.8
4. Surface tension (dyne/cm): 41.3
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 19.95
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: 2
4. Number of rotatable chemical bonds: 4
5. Interaction�Number of isomers: None
6. Topological molecule polar surface area 23.5
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 110
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. The number of uncertain stereocenters of atoms: 0
13. The number of determined stereocenters of chemical bonds: 0
14. The number of uncertain stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
Avoid contact with strong oxidizing agents.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. 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.
Synthesis method
First react benzyl chloride and ethanolamine to obtain 2-(N-benzyl)aminoethanol, and then react with paraformaldehyde in formic acid at a temperature of 70-80°C to obtain N-benzyl-N-methyl ethanolamine.
Purpose
Used as an intermediate for the calcium antagonist Nicardipine.
