Procaine hydrochloride

Structural formula

Business number	014E
Molecular formula	C13H21N2O2Cl
Molecular weight	272.78
label	4-Aminobenzoic acid-2-(diethylamino)ethyl ester monohydrochloride, 2-Diethylaminoethyl p-aminobenzoate hydrochloride, 2-Diethylaminoethyl 4-aminobenzoate hydrochloride, 2-(Diethylamino)ethyl p-aminobenzoate monohydrochloride, Procain Hydrochloride, Procaine hydrochloride, H2NC6H4CO2CH2CH2N(C2H5)2·HCl

Numbering system

CAS number:51-05-8

MDL number:MFCD00013000

EINECS number:200-077-2

RTECS number:DG2275000

BRN number:3917802

PubChem number:24278665

Physical property data

1. Properties: Colorless monoclinic or triclinic hexagonal flaky crystals. Odorless. Has a numbing smell. Stable in air. It easily turns yellow when exposed to light.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 153～156

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit ( %, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: 1g product dissolves in 1ml of water, 30ml ethanol. Slightly soluble in chloroform, almost insoluble in ether. The pH of 0.1mol/L aqueous solution is 6.0. The aqueous solution can be boiled for sterilization.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: Not available

2. Molar volume (cm³/mol): Not available

3. Isotonic specific volume ( 90.2K): Not available

4. Surface layout� (dyne/cm): Not available

5. Polarizability (10-24cm3): Not available

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA): 55.6

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 222

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 Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 2

Properties and stability

None

Storage method

This product should be sealed and stored away from light.

Synthesis method

None

Purpose

Pharmaceuticals. Local anesthetic.