Benzenepropanamine, g-(2-methoxyphenoxy)-N-methyl-,hydrochloride (1:1) supplier

Name
NISOXETINE HYDROCHLORIDE
EINECS
CAS No. 57754-86-6
Article Data2
CAS DataBase
Density 1.054g/cm3
Solubility H₂O: 20 mg/mL
Melting Point
Formula C₁₇H₂₂ClNO₂
Boiling Point 404.8 °C at 760 mmHg
Molecular Weight 307.82
Flash Point 170.6 °C
Transport Information
Appearance white solid
Safety 22-26-36
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(2-Methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine hydrochloride (1:1);(±)-g-(2-Methoxyphenoxy)-N-methylbenzenepropanamine hydrochloride;Nisoxetine hydrochloride;Lilly 94939;
PSA 30.49000
LogP 4.61770

Benzenepropanamine, g-(2-methoxyphenoxy)-N-methyl-,hydrochloride (1:1) Specification

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

Product Name

NISOXETINE HYDROCHLORIDE

Benzenepropanamine, g-(2-methoxyphenoxy)-N-methyl-,hydrochloride (1:1) Specification

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