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:50-49-7

MDL number:None

EINECS number:200-042-1

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: Its hydrochloride is commonly used. It is a white crystalline powder

2. Density (g/mL, 25/4℃): Undetermined

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, 5.2 kPa): Not determined

7. Refractive index: Not determined

8. Flash point (oC): Not determined

9. Specific rotation ( o): Not determined

10. Autoignition point or ignition temperature (oC): Not determined

11. Vapor pressure (kPa, 25 oC): Not determined

12. Saturated vapor pressure (kPa, 60 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) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Easily soluble In water, it gradually turns yellow-red when exposed to water

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 88.92

2. Molar volume (cm³/mol): 269.2

3. Isotonic specific volume (90.2K ): 677.5

4. Surface tension (dyne/cm): 40.1

5. Polarizability (10-24cm3): 35.25

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 6.5

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 291

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. TotalNumber of key units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a dry place away from light.

Synthesis method

It is produced by condensing and reducing o-nitrotoluene to obtain 2,2′-aminobibenzyl and condensing with 1-chloro-3-dimethylaminopropane to form a salt.

Purpose

It has a strong antidepressant effect, but its stimulating effect is not obvious and its sedative effect is weak. It is almost ineffective or has poor curative effect on the depressive state associated with schizophrenia. It can also be used for enuresis in children.

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