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16977-53-0

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Basic Information
CAS No.: 16977-53-0
Name: N-ethyl-N-methyl-5-methoxy-tryptamine
Molecular Structure:
Molecular Structure of 16977-53-0 (N-ethyl-N-methyl-5-methoxy-tryptamine)
Formula: C14H20N2O
Molecular Weight: 232.3214
Synonyms: N-ethyl-N-methyl-5-methoxy-tryptamine
Density: 1.078g/cm3
Boiling Point: 383.3 °C at 760 mmHg
Flash Point: 185.6 °C
PSA: 28.26000
LogP: 2.67070
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Specification

The 1H-Indole-3-ethanamine,N-ethyl-5-methoxy-N-methyl-, with CAS registry number 16977-53-0, has the systematic name of N-ethyl-2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine. Besides this, it is also called N-ethyl-N-methyl-5-methoxy-tryptamine. And the chemical formula of this chemical is C14H20N2O.

Physical properties of 1H-Indole-3-ethanamine,N-ethyl-5-methoxy-N-methyl-: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.56; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.99; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 17.4 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 72.37 cm3; (15)Molar Volume: 215.4 cm3; (16)Polarizability: 28.69×10-24cm3; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.078 g/cm3; (19)Flash Point: 185.6 °C; (20)Enthalpy of Vaporization: 63.18 kJ/mol; (21)Boiling Point: 383.3 °C at 760 mmHg; (22)Vapour Pressure: 4.44E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc2c(cc1)ncc2CCN(CC)C)C
(2)InChI: InChI=1/C14H20N2O/c1-4-16(2)8-7-11-10-15-14-6-5-12(17-3)9-13(11)14/h5-6,9-10,15H,4,7-8H2,1-3H3
(3)InChIKey: AVECDEWGCOLCPZ-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C14H20N2O/c1-4-16(2)8-7-11-10-15-14-6-5-12(17-3)9-13(11)14/h5-6,9-10,15H,4,7-8H2,1-3H3
(5)Std. InChIKey: AVECDEWGCOLCPZ-UHFFFAOYSA-N