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CAS No.: | 57754-86-6 |
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Name: | NISOXETINE HYDROCHLORIDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C17H22ClNO2 |
Molecular Weight: | 307.82 |
Synonyms: | 3-(2-Methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine hydrochloride (1:1);(±)-g-(2-Methoxyphenoxy)-N-methylbenzenepropanamine hydrochloride;Nisoxetine hydrochloride;Lilly 94939; |
Density: | 1.054g/cm3 |
Boiling Point: | 404.8 °C at 760 mmHg |
Flash Point: | 170.6 °C |
Solubility: | H2O: 20 mg/mL |
Appearance: | white solid |
Safety: | 22-26-36 |
PSA: | 30.49000 |
LogP: | 4.61770 |
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The Benzenepropanamine, g-(2-methoxyphenoxy)-N-methyl-,hydrochloride (1:1), with the CAS registry number 57754-86-6, is also known as Nisoxetine hydrochloride. It belongs to the product category of Adrenoceptor. This chemical's molecular formula is C17H22ClNO2 and molecular weight is 307.82. What's more, its IUPAC name is 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine hydrochloride and its storage temperature is 2-8°C.
Physical properties of Benzenepropanamine, g-(2-methoxyphenoxy)-N-methyl-,hydrochloride (1:1) are: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.75; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 21.7 Å2; (13)Flash Point: 170.6 °C; (14)Enthalpy of Vaporization: 65.63 kJ/mol; (15)Boiling Point: 404.8 °C at 760 mmHg; (16)Vapour Pressure: 9.2E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
Do not breathe dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O(c1ccccc1OC)C(c2ccccc2)CCNC
(2)Std. InChI: InChI=1S/C17H21NO2.ClH/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2;/h3-11,15,18H,12-13H2,1-2H3;1H
(3)Std. InChIKey: LCEURBZEQJZUPV-UHFFFAOYSA-N