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| CAS No.: | 824960-03-4 |
|---|---|
| Name: | JWH 181 |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | N/A |
| Molecular Weight: | 397.56 |
| Density: | 1.06 |
| Boiling Point: | 562.1±38.0 °C(Predicted) |
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Specification
The systematic name of JWH 181 is (2-methyl-1-pentyl-indol-3-yl)-(4-propyl-1-naphthyl)methanone. With the CAS registry number 824960-03-4, it is also named as (2-Methyl-1-pentyl-1H-indol-3-yl)(4-propyl-1-naphthalenyl)methanone. In addition, its molecular formula is C28H31NO and molecular weight is 397.55.
The other characteristics of JWH 181 can be summarized as: (1)ACD/LogP: 8.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.669; (4)ACD/LogD (pH 7.4): 8.669; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1239038.5; (8)ACD/KOC (pH 7.4): 1239038.5; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 22 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 125.648 cm3; (15)Molar Volume: 374.451 cm3; (16)Polarizability: 49.811×10-24cm3; (17)Surface Tension: 38.624 dyne/cm; (18)Density: 1.062 g/cm3; (19)Flash Point: 293.747 °C; (20)Enthalpy of Vaporization: 84.51 kJ/mol; (21)Boiling Point: 562.099 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: CCCCCn1c(c(c2c1cccc2)C(=O)c3ccc(c4c3cccc4)CCC)C
(2)InChI: InChI=1/C28H31NO/c1-4-6-11-19-29-20(3)27(25-15-9-10-16-26(25)29)28(30)24-18-17-21(12-5-2)22-13-7-8-14-23(22)24/h7-10,13-18H,4-6,11-12,19H2,1-3H3
(3)InChIKey: MRZUOBIFOHQHRD-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C28H31NO/c1-4-6-11-19-29-20(3)27(25-15-9-10-16-26(25)29)28(30)24-18-17-21(12-5-2)22-13-7-8-14-23(22)24/h7-10,13-18H,4-6,11-12,19H2,1-3H3
(5)Std. InChIKey: MRZUOBIFOHQHRD-UHFFFAOYSA-N