1019-45-0

The N,N-Dimethyl-5-methoxytryptamine, with the CAS registry number 1019-45-0, is also known as Indole, 3-(2-(dimethylamino)ethyl)-5-methoxy- (8CI). It belongs to the product category of Tryptamines. Its EINECS registry number is 213-813-2. This chemical's molecular formula is C₁₃H₁₈N₂O and molecular weight is 218.29. Its IUPAC name is called 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine. This chemical is off-white to slightly yellow crystalline powder. This chemical's classification code is Natural Product. The product should be sealed and stored in cool and dry place.

Physical properties of N,N-Dimethyl-5-methoxytryptamine: (1)ACD/LogP: 1.98 ; (2)ACD/LogD (pH 5.5): -1.04; (3)ACD/LogD (pH 7.4): 0.12; (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): 3.91; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.596; (12)Molar Refractivity: 67.74 cm³; (13)Molar Volume: 198.9 cm³; (14)Surface Tension: 42.9 dyne/cm; (15)Density: 1.097 g/cm³; (16)Flash Point: 177.9 °C; (17)Enthalpy of Vaporization: 61.74 kJ/mol; (18)Boiling Point: 370.5 °C at 760 mmHg; (19)Vapour Pressure: 1.1E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by g-Dimethylaminobutyraldehyd-dimethylacetal and (4-methoxy-phenyl)-hydrazine; hydrochloride. This reaction will need reagent 4percent aq. H₂SO₄. The reaction time is 2 hours. The yield is about 85%.

Uses of N,N-Dimethyl-5-methoxytryptamine: it can be used to produce 3-(2-dimethylamino-ethyl)-indol-5-ol at temperature of 20 °C. This reaction will need reagent BBr₃ and solvent CH₂Cl₂. The yield is about 23%.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)OC
(2)InChI: InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
(3)InChIKey: ZSTKHSQDNIGFLM-UHFFFAOYSA-N

The toxicity data is as follows: