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CAS No.: | 61-50-7 |
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Name: | N,N-Dimethyltryptamine |
Article Data: | 51 |
Molecular Structure: | |
Formula: | C12H16N2 |
Molecular Weight: | 188.272 |
Synonyms: | Indole,3-[2-(dimethylamino)ethyl]- (6CI,7CI,8CI);2-(3-Indolyl)ethyldimethylamine;3-(2-Dimethylaminoethyl)indole;DMT (psychogenic);NSC 63795; |
EINECS: | 200-508-4 |
Density: | 1.076 g/cm3 |
Melting Point: | 42-44 °C |
Boiling Point: | 332.1 °C at 760 mmHg |
Flash Point: | 154.7 °C |
Appearance: | tan solid |
Transport Information: | UN 1544 |
PSA: | 19.03000 |
LogP: | 2.27200 |
The CAS registry number of 3-(2-Dimethylaminoethyl)indole is 61-50-7. Its EINECS registry number is 200-508-4. The IUPAC name is 2-(1H-indol-3-yl)-N,N-dimethylethanamine. In addition, the molecular formula is C12H16N2. What's more, it is an N-methylated indoleamine derivative. It apparently acts as an agonist at some types of serotonin receptors. Besides, it can be used as a pharmaceutical intermediate.
Physical properties about this chemical are: (1)ACD/LogP: 2.06; (2)ACD/LogD (pH 5.5): -0.99; (3)ACD/LogD (pH 7.4): -0.02; (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): 2.6; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 8.17 Å2; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 61.06 cm3; (14)Molar Volume: 174.9 cm3; (15)Polarizability: 24.2 ×10-24cm3; (16)Surface Tension: 44.7 dyne/cm; (17)Density: 1.076 g/cm3; (18)Flash Point: 154.7 °C; (19)Enthalpy of Vaporization: 57.49 kJ/mol; (20)Boiling Point: 332.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000149 mmHg at 25°C.
Preparation of 3-(2-Dimethylaminoethyl)indole: it can be prepared by 5-bromo-N,N-dimethyltryptamin. This reaction will need reagent hydrogen, catalyst palladized charcoal (10percent) and solvent methanol. The reaction time is 18 hours. The yield is about 100%.
Uses of 3-(2-Dimethylaminoethyl)indole: it can be used to get [2-(2-iodo-1H-indol-3-yl)-ethyl]-dimethyl-amine. This reaction will need reagents aq. chloramine-T and KI, and solvent CHCl3. The reaction time is 5 minutes. The yield is about 85%.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc2c1c(cn2)CCN(C)C
(2)InChI: InChI=1/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
(3)InChIKey: DMULVCHRPCFFGV-UHFFFAOYAQ
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
man | TDLo | intramuscular | 1mg/kg (1mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION | Psychopharmacologia Vol. 4, Pg. 39, 1963. |
mouse | LD50 | intraperitoneal | 47mg/kg (47mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 1620, 1974. | |
mouse | LD50 | intravenous | 32mg/kg (32mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00740, |