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77872-43-6

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Basic Information
CAS No.: 77872-43-6
Name: 4-Hydroxy-N-isopropyl-N-methyltryptamine
Molecular Structure:
Molecular Structure of 77872-43-6 (4-Hydroxy-N-isopropyl-N-methyltryptamine)
Formula: C14H20N2O
Molecular Weight: 232.326
Synonyms: 4-Hydroxy-N-methyl-N-isopropyltryptamine;4-HO-MiPT;3-{2-[methyl(propan-2-yl)amino]ethyl}-1H-indol-4-ol;3-(2-(Isopropyl(methyl)amino)ethyl)-1H-indol-4-ol;
Density: 1.124 g/cm3
Boiling Point: 407.36 °C at 760 mmHg
Flash Point: 200.164 °C
PSA: 37.19000
LogP: 2.22930
Raw Materials
5585-96-6
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Specification

The 4-Hydroxy-N-methyl-N-isopropyltryptamine, with the CAS registry number 77872-43-6, is also known as 3-(2-(Isopropyl(methyl)amino)ethyl)-1H-indol-4-ol. It belongs to the product categories of Amines; Drug Analogues; Indole Derivatives; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C14H20N2O and molecular weight is 232.32. What's more, its systematic name is 3-{2-[Isopropyl(methyl)amino]ethyl}-1H-indol-4-ol. This chemical is an synthetic substituted aromatic compound and a lesser-known psychedelic tryptamine. It is thought to be a serotonergic psychedelic, similar to magic mushrooms, LSD and mescaline.

Physical properties of 4-Hydroxy-N-methyl-N-isopropyltryptamine are: (1)ACD/LogP: 2.318; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.75; (4)ACD/LogD (pH 7.4): 0.03; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 2.24; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 39.26 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 72.171 cm3; (15)Molar Volume: 206.776 cm3; (16)Polarizability: 28.611×10-24cm3; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.124 g/cm3; (19)Flash Point: 200.164 °C; (20)Enthalpy of Vaporization: 68.487 kJ/mol; (21)Boiling Point: 407.36 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cccc2c1c(cn2)CCN(C(C)C)C
(2)Std. InChI: InChI=1S/C14H20N2O/c1-10(2)16(3)8-7-11-9-15-12-5-4-6-13(17)14(11)12/h4-6,9-10,15,17H,7-8H2,1-3H3
(3)Std. InChIKey: RXKGHZCQFXXWFQ-UHFFFAOYSA-N