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| CAS No.: | 103610-04-4 |
|---|---|
| Name: | [1-[2-(4-Morpholinyl)ethyl]-1H-indol-3-yl]-1-naphthalenylmethanone |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C25H24N2O2 |
| Molecular Weight: | 384.478 |
| Synonyms: | [1-[2-(4-Morpholinyl)ethyl]-1H-indol-3-yl]-1-naphthalenylmethanone;(1-(2-morpholin-4-ylethyl)indol-3-yl)-naphthalen-1-ylmethanone;JWH -200;1-[2-(4-Morpholinyl)ethyl]-3-(1-naphthoyl)indole JWH 200;JWH 200 (solution);JWH 200 (exempt preparation) |
| Density: | 1.21 |
| Melting Point: | 104-106 ºC |
| Boiling Point: | 601.997°C at 760 mmHg |
| Flash Point: | 317.877°C |
| PSA: | 34.47000 |
| LogP: | 4.29560 |
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Specification
The [1-[2-(4-Morpholinyl)ethyl]-1H-indol-3-yl]-1-naphthalenylmethanone with CAS registry number of 103610-04-4 is also known as JWH 200. The systematic name is {1-[2-(Morpholin-4-yl)ethyl]-1H-indol-3-yl}(naphthalen-1-yl)methanone. In addition, the formula is C25H24N2O2 and the molecular weight is 384.47.
Physical properties about [1-[2-(4-Morpholinyl)ethyl]-1H-indol-3-yl]-1-naphthalenylmethanone are: (1)ACD/LogP: 5.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 596; (7)ACD/KOC (pH 5.5): 75; (8)ACD/KOC (pH 7.4): 2787; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.645; (13)Molar Refractivity: 115.172 cm3; (14)Molar Volume: 317.602 cm3; (15)Surface Tension: 48.629 dyne/cm; (16)Density: 1.211 g/cm3; (17)Flash Point: 317.877 °C; (18)Enthalpy of Vaporization: 89.572 kJ/mol; (19)Boiling Point: 601.997 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(c2c1ccccc1ccc2)c3c5ccccc5n(c3)CCN4CCOCC4
2. InChI: InChI=1/C25H24N2O2/c28-25(22-10-5-7-19-6-1-2-8-20(19)22)23-18-27(24-11-4-3-9-21(23)24)13-12-26-14-16-29-17-15-26/h1-11,18H,12-17H2
3. InChIKey: SZWYXJHTNGJPKU-UHFFFAOYAN
4. Std. InChI: InChI=1S/C25H24N2O2/c28-25(22-10-5-7-19-6-1-2-8-20(19)22)23-18-27(24-11-4-3-9-21(23)24)13-12-26-14-16-29-17-15-26/h1-11,18H,12-17H2