dibucaine dibucaine

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:85-79-0

mdl number:mfcd00047595

einecs number:201-632-1

rtecs number:gd3150000

brn number:none

pubchem number:24893238

physical property data

1. physical property data

1. character: uncertain.

2. density (g/ml,25/4 ℃): unsure

3. relative vapor density (g/ml,air=1): unsure

4. melting point (ºc): unsure

5. boiling point (ºc,normal pressure): unsure

6. boiling point (ºc,5.2kpa): unsure

7. refractive index: unsure

8. flashpoint (ºc): unsure

9. specific optical rotation (º): unsure

10. autoignition point or ignition temperature (ºc): unsure

11. vapor pressure (kpa,25ºcrat abdominal cavity ld50: 7mg/kg;

mouse abdominal cavity ld50: 24500 ug/kg; mouse subcutaneous ld50 ：28500 ug/kg

mouse vein ldl0: 6mg/kg

rabbit subcutaneous ld50: 8500 ug/kg; rabbit intravenous ld50: 2100 ug/kg；

pig subcutaneous ldl0: 112mg/kg

frog spine ldl0: 4mg/kg

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 103.27

2. molar volume (m³/mol）：320.4

3. isotonic specific volume (90.2k):819.0

4. surface tension (dyne/cm):42.6

5. polarizability（10^-24cm³):40.94

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: 4

4. number of rotatable chemical bonds: 10

5. number of tautomers: 2

6. topological molecule polar surface area 54.5

7. number of heavy atoms: 25

8. surface charge: 0

9. complexity: 387

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

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

mily: arial; mso-hansi-font-family: arial; mso-bidi-font-family: arial”>isotonic specific volume (90.2k):819.0

4. surface tension (dyne/cm):42.6

5. polarizability（10^-24cm³):40.94

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: 4

4. number of rotatable chemical bonds: 10

5. number of tautomers: 2

6. topological molecule polar surface area 54.5

7. number of heavy atoms: 25

8. surface charge: 0

9. complexity: 387

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

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet