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| CAS No.: | 154-68-7 |
|---|---|
| Name: | Antazoline phosphate |
| Article Data: | 2 |
| Molecular Structure: | |
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|
|
| Formula: | C17H22N3O4P |
| Molecular Weight: | 363.353 |
| Synonyms: | Antazoline Hydrochloride |
| EINECS: | 205-831-4 |
| Density: | 0.975?g/mL?at 25?°C(lit.) |
| Melting Point: | 194-198° |
| Boiling Point: | 475.5 °C at 760 mmHg |
| Flash Point: | 241.4 °C |
| Appearance: | COA |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 115.20000 |
| LogP: | 1.53070 |
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Specification
The Antazoline phosphate is an organic compound with the formula C17H22N3O4P. The IUPAC name of this chemical is N-Benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline; phosphoric acid. With the CAS registry number 154-68-7, it is also named as 2-(N-Benzylanilinomethyl)-2-imidazoline. Besides, its molecular weight is 363.35. It is a first generation antihistamine that also anticholinergic properties used to relieve nasal congestion and in eye drops, usually in combination with naphazoline, to relieve the symptoms of allergic conjunctivitis.
Physical properties about Antazoline phosphate are: (1)ACD/LogP: 4.39; (2)ACD/LogD (pH 5.5): 2.39; (3)ACD/LogD (pH 7.4): 2.43; (4)ACD/BCF (pH 5.5): 12.82; (5)ACD/BCF (pH 7.4): 14; (6)ACD/KOC (pH 5.5): 58.39; (7)ACD/KOC (pH 7.4): 63.75; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 18.84 Å2; (12)Flash Point: 241.4 °C; (13)Enthalpy of Vaporization: 73.9 kJ/mol; (14)Boiling Point: 475.5 °C at 760 mmHg; (15)Vapour Pressure: 3.31E-09 mmHg at 25 °C.
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. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C17H19N3.H3O4P/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;1-5(2,3)4/h1-10H,11-14H2,(H,18,19);(H3,1,2,3,4)
(2)InChIKey: DUIGUKRYYAGJAF-UHFFFAOYAX
(3)Std. InChI: InChI=1S/C17H19N3.H3O4P/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;1-5(2,3)4/h1-10H,11-14H2,(H,18,19);(H3,1,2,3,4)
(4)Std. InChIKey: DUIGUKRYYAGJAF-UHFFFAOYSA-N