1H-Indole-3-ethanamine,N-methyl- (61-49-4)

The CAS register number of 3-(2-Methylaminoethyl)indole is 61-49-4. It also can be called as N(omega)-Methyltryptamine and the IUPAC name about this chemical is 2-(1H-indol-3-yl)-N-methylethanamine. The molecular formula about this chemical is C₁₁H₁₄N₂ and the molecular weight is 174.24. It belongs to the following product categories, such as Tryptamines; Heterocyclic Compounds and so on. When you are using it, please avoid contact with skin and eyes.

Physical properties about 3-(2-Methylaminoethyl)indole are: (1)ACD/LogP: 1.52; (2)ACD/LogD (pH 5.5): -1.58; (3)ACD/LogD (pH 7.4): -1.42; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 8.17Ų; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 56.3 cm³; (14)Molar Volume: 160 cm³; (15)Polarizability: 22.32x10^-24cm³; (16)Surface Tension: 45.2 dyne/cm; (17)Enthalpy of Vaporization: 57.93 kJ/mol; (18)Boiling Point: 336.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000114 mmHg at 25°C.

Preparation: this chemical can be prepared by N-(2-indol-3-yl-ethyl)-formamide. This reaction will need reagent LiAlH₄.

Uses of 3-(2-Methylaminoethyl)indole: it can be used to produce 2-iodo-N-methyltryptamine. This reaction will need reagent aq. chloramine-T, KI and solvent CHCl₃ with reaction time of 5 min. The yield is about 87%.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc2c1c(cn2)CCNC
(2)InChI: InChI=1/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
(3)InChIKey: NCIKQJBVUNUXLW-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
(5)Std. InChIKey: NCIKQJBVUNUXLW-UHFFFAOYSA-N

The toxicity data is as follows: