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.
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