N-(2-chloroethyl)dibenzylamine hydrochloride

Structural formula

Business number	016U
Molecular formula	C16H18ClN·HCl
Molecular weight	296.23
label	Dibenzylaminoethane chloride hydrochloride

Numbering system

CAS number:55-43-6

MDL number:MFCD00012518

EINECS number:200-234-5

RTECS number:HQ6825000

BRN number:None

PubChem number:24857529

Physical property data

1. Character:White crystalline powder.

2. Density (g/mL,25/4℃): 1.250

3. Relative vapor density (g/mL,air=1): Undetermined

4. Melting point (ºC): SPAN>192

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical 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. Oil and water (octanol/Log value of water) partition coefficient: Undetermined

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

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility:Stable in acidic solutions, but rapidly destroyed in neutral or alkaline solutions. Soluble in dilute acid, 95%Ethanol and propylene glycol are almost insoluble in water.

Toxicological data

1, acute toxicity: mouse abdominal cavity LD50: 75mg/kg; mouse subcutaneous LD50: 400mg/kg; mouse intravenousLD50: 50mg/kg; Feline vein LDLo: 35mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index:78.12

2. Molar volume (m³/mol）：234.6

3. isotonic specific volume (90.2K):599.7

4. Surface Tension (dyne/cm):42.7

5. Polarizability（10^-24cm³): 30.97

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: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 3.2

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 187

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.NoDetermine the number of stereocenters of chemical bonds: 0

15. The number of covalent bond units: 2

Properties and stability

None

Storage method

This product should be sealed and stored in a cool place.

Synthesis method

None

Purpose

For biochemical research. medicine.