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109921-55-3

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Basic Information
CAS No.: 109921-55-3
Name: N-Isopropyl-5-methoxytryptamine
Article Data: 4
Molecular Structure:
Molecular Structure of 109921-55-3 (N-Isopropyl-5-methoxytryptamine)
Formula: C14H20N2O
Molecular Weight: 232.326
Synonyms: 5-Methoxy-N-isopropyltryptamine;Isopropyl[2-(5-methoxy-1H-indol-3-yl)ethyl]amine;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propan-2-amine;N-Isopropyl-5-methoxy-tryptamine;
Density: 1.068 g/cm3
Boiling Point: 391.5 °C at 760 mmHg
Flash Point: 190.6 °C
PSA: 37.05000
LogP: 3.10790
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Specification

The CAS registry number of 1H-Indole-3-ethanamine,5-methoxy-N-(1-methylethyl)- is 109921-55-3. The IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propan-2-amine. It is also called 5-Methoxy-N-isopropyltryptamine. In addition, the molecular formula is C14H20N2O and the molecular weight is 232.32.

Physical properties about 1H-Indole-3-ethanamine,5-methoxy-N-(1-methylethyl)- are: (1)ACD/LogP: 2.32 ; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 17.4 Å2; (6)Index of Refraction: 1.578; (7)Molar Refractivity: 72.2 cm3; (8)Molar Volume: 217.4 cm3; (9)Polarizability: 28.62 ×10-24cm3; (10)Surface Tension: 40.5 dyne/cm; (11)Density: 1.068 g/cm3; (12)Flash Point: 190.6 °C; (13)Enthalpy of Vaporization: 64.12 kJ/mol; (14)Boiling Point: 391.5 °C at 760 mmHg; (15)Vapour Pressure: 2.45E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc2c(cc1)ncc2CCNC(C)C)C
(2)InChI: InChI=1/C14H20N2O/c1-10(2)15-7-6-11-9-16-14-5-4-12(17-3)8-13(11)14/h4-5,8-10,15-16H,6-7H2,1-3H3
(3)InChIKey: QQZJNZJNPDORBO-UHFFFAOYAV