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
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
