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
