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| CAS No.: | 209414-08-4 |
|---|---|
| Name: | (1-hexylindol-3-yl)-(1-naphthyl)methanone |
| Molecular Structure: | |
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| Formula: | N/A |
| Molecular Weight: | 355.47 |
| Synonyms: | (1-Hexyl-1H-indol-3-yl)-1-naphthalenylmethanone;JWH -019;Tyrrell 019;1-Hexyl-3-(1-naphthoyl)indole;1-Hexyl-3-(1-naphthoyl)indole JWH 19;(1-Hexyl-1H-indol-3-yl)(naphthalen-1-yl)methanone;JWH 019 (exempt preparation) |
| Density: | 1.08 |
| Boiling Point: | 543.788°C at 760 mmHg |
| Flash Point: | 282.673°C |
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Specification
The (1-Hexyl-1H-indol-3-yl)-1-naphthalenylmethanone is a chemical compound with formula C25H25NO. Its cas registry number is 209414-08-4. Its systematic name is named as (1-hexylindol-3-yl)-(1-naphthyl)methanone. It is used as a pharmaceutical intermediate.
Physical properties about this chemical are: (1)ACD/LogP: 7.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.373; (4)ACD/LogD (pH 7.4): 7.373; (5)ACD/BCF (pH 5.5): 236350.813; (6)ACD/BCF (pH 7.4): 236350.813; (7)ACD/KOC (pH 5.5): 244324.547; (8)ACD/KOC (pH 7.4): 244324.547; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.6; (13)Molar Refractivity: 112.191 cm3; (14)Molar Volume: 328.028 cm3; (15)Surface Tension: 41.523 dyne/cm; (16)Density: 1.084 g/cm3; (17)Flash Point: 282.673 °C; (18)Enthalpy of Vaporization: 82.224 kJ/mol; (19)Boiling Point: 543.788 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCn1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4;
(2)InChI: InChI=1/C25H25NO/c1-2-3-4-9-17-26-18-23(21-14-7-8-16-24(21)26)25(27)22-15-10-12-19-11-5-6-13-20(19)22/h5-8,10-16,18H,2-4,9,17H2,1H3;
(3)InChIKey: PALJPGHWDUHUPO-UHFFFAOYAV