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CAS No.: | 1019-45-0 |
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Name: | N,N-Dimethyl-5-methoxytryptamine |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C13H18N2O |
Molecular Weight: | 218.299 |
Synonyms: | Indole,3-[2-(dimethylamino)ethyl]-5-methoxy- (6CI,7CI,8CI);3-(2-Dimethylaminoethyl)-5-methoxyindole;5-Methoxy-N,N-dimethyltryptamine;5-Methoxydimethyltryptamine;Bufotenine, O-methyl-;CT 4334;Methoxybufotenin;Methylbufotenine;NSC 88624;O-Methylbufotenine; |
EINECS: | 213-813-2 |
Density: | 1.097 g/cm3 |
Melting Point: | 68-71 °C |
Boiling Point: | 370.5 °C at 760 mmHg |
Flash Point: | 177.9 °C |
Solubility: | Practically insoluble in water |
Appearance: | off-white to slightly yellow crystalline powder |
Hazard Symbols: | C,Xn |
Risk Codes: | 20-34-43-21/22 |
Safety: | 22-26-28-36/37/39-45-36-24/25 |
PSA: | 28.26000 |
LogP: | 2.28060 |
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:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 115mg/kg (115mg/kg) | Psychopharmacologia Vol. 16, Pg. 385, 1970. | |
mouse | LDLo | subcutaneous | 75mg/kg (75mg/kg) | BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" | Science. Vol. 156, Pg. 970, 1967. |