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| CAS No.: | 619294-47-2 |
|---|---|
| Name: | JWH -122 |
| Molecular Structure: | |
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| Formula: | N/A |
| Molecular Weight: | 355.4721 |
| Synonyms: | JWH -122;(4-Methyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone;Methanone, (4-methyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)-;JWH-122,1-Pentyl-3-(4-Methyl-1-naphthoyl)indole;1-Pentyl-3-(4-Methylnaphthoyl)indole JWH 122;1-Pentyl-3-(4-Methyl-1-naphthoyl)indole;(4-Methyl-1-naphthyl)-(1-pentylindol-3-yl)Methanone;(4-Methylnaphthalen-1-yl)(1-pentyl-1H-indol-3-yl)Methanone |
| Density: | 1.08 |
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Specification
The JWH-122, with the CAS registry number of 619294-47-2, is also known as 1-Pentyl-3-(4-Methyl-1-naphthoyl)indole. This chemical's molecular formula is C25H25NO and molecular weight is 355.4721. What's more, its systematic name is called (4-Methyl-1-naphthyl)-(1-pentylindol-3-yl)methanone. JWH-122 is a synthetic cannabimimetic.
Physical properties about JWH-122 are: (1)ACD/LogP: 7.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.111; (4)ACD/LogD (pH 7.4): 7.111; (5)ACD/BCF (pH 5.5): 149414.156; (6)ACD/BCF (pH 7.4): 149414.156; (7)ACD/KOC (pH 5.5): 175957.031; (8)ACD/KOC (pH 7.4): 175957.031; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 22 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 112.006 cm3; (15)Molar Volume: 327.157 cm3; (16)Surface Tension: 40.472 dyne/cm; (17)Density: 1.087 g/cm3; (18)Flash Point: 291.091 °C; (19)Enthalpy of Vaporization: 83.96 kJ/mol; (20)Boiling Point: 557.708 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCCCCn1cc(c2c1cccc2)C(=O)c3ccc(c4c3cccc4)C
(2) InChI: InChI=1/C25H25NO/c1-3-4-9-16-26-17-23(21-12-7-8-13-24(21)26)25(27)22-15-14-18(2)19-10-5-6-11-20(19)22/h5-8,10-15,17H,3-4,9,16H2,1-2H3
(3) InChIKey: HUKJQMKQFWYIHS-UHFFFAOYAB