Dibucaine Dibucaine

Structural formula

Business number	01W8
Molecular formula	C20H29N3O2
Molecular weight	343.46
label	dibucaine, 2-Butoxy-N-(2-diethylaminoethyl)quinoline-4-carboxamide, Cinchocaine, 2-Butoxy-N-(2-diethylaminoethyl)quinoline-4-carboxamide

• 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