Dibucaine Dibucaine

Structure formula of cinchaine

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 LD5028500 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. Polarizability10-24cm3):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. Polarizability10-24cm3):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

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/25091

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