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356092-30-3

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Basic Information
CAS No.: 356092-30-3
Name: [2-(1 H-INDOL-3-YL)-ETHYL]-(2-METHYL-BENZYL)-AMINE
Molecular Structure:
Molecular Structure of 356092-30-3 ([2-(1 H-INDOL-3-YL)-ETHYL]-(2-METHYL-BENZYL)-AMINE)
Formula: C18H20N2
Molecular Weight: 264.36
Synonyms: CHEMBRDG-BB 5522599;[2-(1 H-INDOL-3-YL)-ETHYL]-(2-METHYL-BENZYL)-AMINE;2-(1H-indol-3-yl)-N-(2-methylbenzyl)ethanamine(SALTDATA: FREE)
Density: 1.115 g/cm3
Boiling Point: 455.8 °C at 760 mmHg
Flash Point: 229.5 °C
Hazard Symbols: IrritantXi
PSA: 27.82000
LogP: 4.19950
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Specification

This chemical is called 1H-Indole-3-ethanamine, N-[(2-methylphenyl)methyl]-, and its systematic name is 2-(1H-indol-3-yl)-N-(2-methylbenzyl)ethanamine. With the molecular formula of C18H20N2, its molecular weight is 264.36. The CAS registry number of this chemical is 356092-30-3.

Other characteristics of the 1H-Indole-3-ethanamine, N-[(2-methylphenyl)methyl]- can be summarised as followings: (1)ACD/LogP: 3.96; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 8.17 Å2; (7)Index of Refraction: 1.642; (8)Molar Refractivity: 85.61 cm3; (9)Molar Volume: 236.9 cm3; (10)Polarizability: 33.94×10-24cm3; (11)Surface Tension: 48.3 dyne/cm; (12)Density: 1.115 g/cm3; (13)Flash Point: 229.5 °C; (14)Enthalpy of Vaporization: 71.57 kJ/mol; (15)Boiling Point: 455.8 °C at 760 mmHg; (16)Vapour Pressure: 1.7E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: c1cccc2c1c(cn2)CCNCc3ccccc3C
2.InChI: InChI=1/C18H20N2/c1-14-6-2-3-7-15(14)12-19-11-10-16-13-20-18-9-5-4-8-17(16)18/h2-9,13,19-20H,10-12H2,1H3
3.InChIKey: WCTSRWDGSJARLG-UHFFFAOYAX