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| CAS No.: | 550-99-2 |
|---|---|
| Name: | 1H-Imidazole,4,5-dihydro-2-(1-naphthalenylmethyl)-, hydrochloride (1:1) |
| Article Data: | 2 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C14H14N2.HCl |
| Molecular Weight: | 246.739 |
| Synonyms: | 1H-Imidazole,4,5-dihydro-2-(1-naphthalenylmethyl)-, monohydrochloride (9CI);2-Imidazoline,2-(1-naphthylmethyl)-, monohydrochloride (8CI);Naphazoline hydrochloride(6CI);2-(1-Naphthylmethyl)-2-imidazoline hydrochloride;2-(a-Naphthylmethyl)-2-imidazoline hydrochloride;Ak-Con;Albalon;Allerest Eye Drops;Coldan;Degest 2;Iridina Due;Naphazoline chloride;Naphcon;Niazol;Ocumethyl;Opcon;Privine (American);Privine hydrochloride;Rhinantin;Rhinoperd;Sanorin-Spofa;Strictylon;Stricylon;Vasocon; |
| EINECS: | 208-989-2 |
| Density: | 1.15 g/cm3 |
| Melting Point: | 254-260 °C |
| Boiling Point: | 440.5 °C at 760 mmHg |
| Flash Point: | 220.2 °C |
| Solubility: | water: 170 g/L (20 °C) |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 T, Xn
|
| Risk Codes: | 25-23/24/25-20/21/22 |
| Safety: | 45-36/37/39-24/25 |
| Transport Information: | UN 2811 6.1/PG 2 |
| PSA: | 24.39000 |
| LogP: | 2.95040 |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In acetonitrile at 20℃; Solvent; Large scale; | 92.33% |
| With hydrogenchloride In acetone at 5℃; for 0.5h; pH=1; Temperature; Reflux; |
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The IUPAC name of Niazol is 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole hydrochloride. With the CAS registry number 550-99-2, it is also named as Naphazoline. The product's categorie is Adrenoceptor. It is white crystalline powder which is soluble in ethanol, slightly soluble in chloroform, insoluble in benzene and ether. This product is vasoconstrictor drug. When heated to decomposition it emits very toxic fumes of NOx and HCl.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 5.25; (6)ACD/BCF (pH 7.4): 5.94; (7)ACD/KOC (pH 5.5): 30.82; (8)ACD/KOC (pH 7.4): 34.89; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Flash Point: 220.2 °C; (13)Enthalpy of Vaporization: 67.07 kJ/mol; (14)Boiling Point: 440.5 °C at 760 mmHg; (15)Vapour Pressure: 1.52E-07 mmHg at 25°C; (16)Rotatable Bond Count: 2; (17)Exact Mass: 246.092376; (18)MonoIsotopic Mass: 246.092376; (19)Topological Polar Surface Area: 24.4; (20)Heavy Atom Count: 17; (21)Complexity: 272.
Preparation of Niazol: The condensation and cyclization of ethylenediamine and α-naphthylacetic acid to get 2-(1-naphthylmethyl) imidazoline (C14H14N2, [CAS NO.835-31-4]), and then salifing to obtain Niazol. Adding α-naphthylacetic acid and ethylenediamine into the reaction pot, stirring and heating to 120 °C for 1 hour, then heating to 130 °C for 1 hour. Distilling out ethylenediamine and water, collecting 180-240 °C (1.33-4 kPa) fractions to get 2-(1- naphthylmethyl) imidazoline. Then dissolved in the mixture of acetone and ethanol, leading to hydrogen chloride gas in the 10-12 °C to salify, then we can obtain Niazol crystals.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed, so people should avoid contact with skin and eyes. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
1. SMILES:Cl.N\1=C(\NCC/1)Cc2cccc3c2cccc3
2. InChI:InChI=1/C14H14N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7H,8-10H2,(H,15,16);1H
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| child | TDLo | oral | 2uL/kg (0.002mL/kg) | VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Japanese Journal of Toxicology. Vol. 9, Pg. 295, 1996. |
| mouse | LD50 | intraperitoneal | 50mg/kg (50mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 28, Pg. 761, 1993. | |
| mouse | LD50 | intravenous | 16500ug/kg (16.5mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of Pharmacology and Experimental Therapeutics. Vol. 113, Pg. 341, 1955. |
| mouse | LD50 | subcutaneous | 170mg/kg (170mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 86, Pg. 280, 1946. | |
| rabbit | LD50 | intramuscular | 950ug/kg (0.95mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 86, Pg. 284, 1946. | |
| rabbit | LD50 | intravenous | 800ug/kg (0.8mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 86, Pg. 284, 1946. | |
| rabbit | LD50 | oral | 50mg/kg (50mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Schweizerische Medizinische Wochenschrift. Vol. 71, Pg. 554, 1941. |
| rabbit | LD50 | subcutaneous | 4mg/kg (4mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Schweizerische Medizinische Wochenschrift. Vol. 71, Pg. 554, 1941. |
| rat | LD50 | intraperitoneal | 50mg/kg (50mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 86, Pg. 284, 1946. | |
| rat | LD50 | intravenous | 6mg/kg (6mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of Pharmacology and Experimental Therapeutics. Vol. 113, Pg. 341, 1955. |
| rat | LD50 | subcutaneous | 200mg/kg (200mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Schweizerische Medizinische Wochenschrift. Vol. 71, Pg. 554, 1941. |
