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1024612-25-6

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Basic Information
CAS No.: 1024612-25-6
Name: 4-Acetoxy-N-isopropyl-N-methyltryptamine
Molecular Structure:
Molecular Structure of 1024612-25-6 (4-Acetoxy-N-isopropyl-N-methyltryptamine)
Formula: C16H22N2O2
Molecular Weight: 274.35808
Synonyms: 4-Acetoxy-N-Isopropyl-N-Methyltryptamine;4-Acetate 3-[2-[Methyl(1-Methylethyl)aMino]ethyl]-1H-indol-4-ol
Density: 1.115 g/cm3
Boiling Point: 423.527 °C at 760 mmHg
Flash Point: 209.942 °C
PSA: 45.33000
LogP: 2.97590
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Specification

The 4-Acetoxy-N-isopropyl-N-methyltryptamine is the organic compound with the formula C16H22N2O2. With the CAS registry number 1024612-25-6, its systematic name is [3-[2-[isopropyl(methyl)amino]ethyl]-1H-indol-4-yl] acetate. The substance can be used as a related homologue of psilocin.

Physical properties of 4-Acetoxy-N-isopropyl-N-methyltryptamine: (1)ACD/LogP: 2.91; (2)ACD/LogD (pH 7.4): 0.768; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 6.566; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.578; (11)Molar Refractivity: 81.63 cm3; (12)Molar Volume: 245.975 cm3; (13)Surface Tension: 43.316 dyne/cm; (14)Density: 1.115 g/cm3; (15)Flash Point: 209.942 °C; (16)Enthalpy of Vaporization: 67.787 kJ/mol; (17)Boiling Point: 423.527 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)N(C)CCc1c[nH]c2c1c(ccc2)OC(=O)C
(2)InChI: InChI=1/C16H22N2O2/c1-11(2)18(4)9-8-13-10-17-14-6-5-7-15(16(13)14)20-12(3)19/h5-7,10-11,17H,8-9H2,1-4H3
(3)InChIKey: CIDMXLOVFPIHDS-UHFFFAOYAP