structural formula

business number	016u
molecular formula	c16h18cln·hcl
molecular weight	296.23
label	dibenzylaminoethane chloride hydrochloride

• 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: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.

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