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1239943-76-0

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Basic Information
CAS No.: 1239943-76-0
Name: Methoxetamine
Article Data: 3
Molecular Structure:
Molecular Structure of 1239943-76-0 (Methoxetamine)
Formula: C15H21NO2
Molecular Weight: 247.33
Synonyms: 2-(3-Methoxyphenyl)-2-(N-ethylamino)cyclohexanone;2-(Ethylamino)-2-(3-methoxyphenyl)-1-cyclohexanone;2-(Ethylamino)-2-(3-methoxyphenyl)cyclohexanone;TX-010394;2-(Ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;
Density: 1.076 g/cm3
Boiling Point: 389.084 °C at 760 mmHg
Flash Point: 189.111 °C
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Specification

The Methoxetamine with CAS registry number of 1239943-76-0 is also known as 2-(3-Methoxyphenyl)-2-(N-ethylamino)cyclohexanone. The IUPAC name is 2-(Ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one. In addition, the formula is C15H21NO2 and the molecular weight is 247.33. Methoxetamine is a chemical of the arylcyclohexylamine class which has been sold as a designer drug. Methoxetamine differs from many other dissociative anesthetics of the arylcyclohexylamine class in that it was designed for grey market distribution.

Physical properties about Methoxetamine are: (1)ACD/LogP: 1.92; (2)ACD/LogD (pH 5.5): 0.203; (3)ACD/LogD (pH 7.4): 1.695; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 10.113; (6)ACD/KOC (pH 5.5): 5.088; (7)ACD/KOC (pH 7.4): 157.805; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.538; (12)Molar Refractivity: 71.893 cm3; (13)Molar Volume: 229.959 cm3; (14)Surface Tension: 41.313 dyne/cm; (15)Density: 1.076 g/cm3; (16)Flash Point: 189.111 °C; (17)Enthalpy of Vaporization: 63.837 kJ/mol; (18)Boiling Point: 389.084 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCNC1(CCCCC1=O)C2=CC(=CC=C2)OC;
2. InChI: InChI=1S/C15H21NO2/c1-3-16-15(10-5-4-9-14(15)17)12-7-6-8-13(11-12)18-2/h6-8,11,16H,3-5,9-10H2,1-2H3;
3. InChIKey: LPKTWLVEGBNOOX-UHFFFAOYSA-N;