N-Methylbenzylamine N-Mehtylbenzylamine

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:103-67-3

MDL number:MFCD00008289

EINECS number:203-133-4

RTECS number:None

BRN number:606221

PubChem ID:None

Physical property data

1. Properties: colorless to light yellow liquid.

2. Density (g/mL, 20/4℃): 0.9360

3. Melting point (ºC): -24

4. Boiling point (ºC , normal pressure): 184~186

5. Refractive index (20ºC): 1.5210

6. Boiling point (ºC, 5mmHg): Undetermined

7 .       Flash point (ºC): 77

8.      Solubility: Easily soluble in organic solvents.

Toxicological data

1. Acute toxicity: Rat oral LD50: 300mg/kg

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 39.39

2. Molar volume (cm³/mol): 131.0

3. Isotonic specific volume (90.2K ): 311.8

4. Surface tension (dyne/cm): 32.0

5. Polarizability: 15.61

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: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 12

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 65

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 oxidizing agents.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 30℃. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation equipment��. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

It is obtained by reacting benzyl chloride and monomethylamine in benzene solvent. Add monomethylamine and benzene to the reaction pot, add benzyl chloride dropwise at 25°C, complete the addition in about 5-6 hours, raise the temperature to 45°C and react for 4 hours. Add sodium hydroxide and keep warm for another 1 hour. Leave to stand and separate into layers. After the benzene layer is distilled under normal pressure to 140°C, it is then distilled under reduced pressure to collect 75-130°C (2.0-6.67kPa). The fraction is benzylmethylamine.

Purpose

Pharmaceutical intermediates, organic solvents, also used in dye production and other organic synthesis.