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| CAS No.: | 51-05-8 |
|---|---|
| Name: | Procaine hydrochloride |
| Molecular Structure: | |
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|
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| Formula: | C13H20N2O2.HCl |
| Molecular Weight: | 272.775 |
| Synonyms: | Benzoicacid, 4-amino-, 2-(diethylamino)ethyl ester, monohydrochloride (9CI);Allocaine;Anadolor;Anesthesol;Atoxicocaine;Cetain;Diethylaminoethanol 4-aminobenzoate hydrochloride;Ethocain;Ethocaine;Geriocaine;Gerovital H3;Irocaine;Isocain;Jenacaine;Kerocaine;Medaject;Naucain;Naucaine;Procaine hydrochloride; |
| EINECS: | 200-077-2 |
| Density: | 1.1761 (rough estimate) |
| Melting Point: | 155-156 °C(lit.) |
| Boiling Point: | 373.6 °C at 760 mmHg |
| Flash Point: | 179.8 °C |
| Solubility: | soluble in water |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 T
|
| Risk Codes: | 25-43-36/37/38-23/24/25 |
| Safety: | 36/37/39-45-37/39-26 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 55.56000 |
| LogP: | 3.15060 |
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| Conditions | Yield |
|---|---|
| at 20 - 100℃; Equilibrium constant; |
| Conditions | Yield |
|---|---|
| In water; acetone at 20℃; | 98% |
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In water at -4 - 0℃; under 760.051 Torr; Product distribution / selectivity; | 97.7% |
| Conditions | Yield |
|---|---|
| Stage #1: procaine hydrochloride With hydrogenchloride; sodium acetate; sodium nitrite In water Diazotization; Stage #2: myricetin In ethanol; water at 25℃; Substitution; | 95% |
- 51-05-8
procaine hydrochloride
| Conditions | Yield |
|---|---|
| With N-chloro-succinimide; 2,2,6,6-tetramethylpiperidin-1-oxoammonium trifluoromethanesulfonate In chloroform at 25℃; for 12h; Reagent/catalyst; Schlenk technique; | 95% |
- 51-05-8
procaine hydrochloride
- 996-50-9
N,N-diethyl-1,1,1-trimethylsilanamine
- 76064-19-2
N,N'-Diethylaminoethyl-p-aminobenzoxytrimethylsilane
| Conditions | Yield |
|---|---|
| With triethylamine for 2h; Heating; | 82% |
| Conditions | Yield |
|---|---|
| In water at 20℃; for 2h; | 79.1% |
- 13156-10-0
3-Acetyl-4,5,5-trimethyl-Δ3-butenolide
- 51-05-8
procaine hydrochloride
- 82814-30-0
4-[1-(4,5,5-Trimethyl-2-oxo-2,5-dihydro-furan-3-yl)-eth-(E)-ylideneamino]-benzoic acid 2-diethylamino-ethyl ester
| Conditions | Yield |
|---|---|
| With sodium In ethanol for 4h; Heating; | 54.4% |
| Conditions | Yield |
|---|---|
| at 150℃; |
- 50-99-7
D-glucose
- 51-05-8
procaine hydrochloride
- 47593-05-5
4-β-D-glucopyranosylamino-benzoic acid-(2-diethylamino-ethyl ester)
| Conditions | Yield |
|---|---|
| With ethanol | |
| With water |
- Total:15 Page 1 of 1 1
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Consensus Reports
Specification
The Pocaine hydrochloride is an organic compound with the formula C13H20N2O2.HCl. The IUPAC name of this chemical is 2-diethylaminoethyl 4-aminobenzoate hydrochloride. With the CAS registry number 51-05-8, it is also named as 4-Aminobenzoate de 2-(diéthylamino)éthyle chlorhydrate. The product's categories are Pharmaceutical; Sodium Channel. Besides, it is a white crystalline powder, which should be stored in a dark and closed place. It is a local anesthetic and used for pharmaceuticals.
Physical properties about Pocaine hydrochloride are:
(1)ACD/LogP: 2.36; (2)ACD/LogD (pH 5.5): -0.65; (3)ACD/LogD (pH 7.4): 0.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 6.67; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 32.78 Å2; (12)Flash Point: 179.8 °C; (13)Enthalpy of Vaporization: 62.09 kJ/mol; (14)Boiling Point: 373.6 °C at 760 mmHg; (15)Vapour Pressure: 8.84E-06 mmHg at 25°C.
When you are using Procaine hydrochloride, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCN(CC)CC)c1ccc(N)cc1.Cl
(2)InChI: InChI=1/C13H20N2O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H
(3)InChIKey: HCBIBCJNVBAKAB-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C13H20N2O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H
(5)Std. InChIKey: HCBIBCJNVBAKAB-UHFFFAOYSA-N