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| CAS No.: | 3965-97-7 |
|---|---|
| Name: | 4-methoxy DMT |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C9H10N2S |
| Molecular Weight: | 218.299 |
| Synonyms: | O-Methylpsilocin;O-Methylpsilocine;4-methoxy-N,N-dimethyltryptamine;4-methoxypsilocin;N,N-dimethyl-4-methoxytryptamine;4-MeO-DMT; |
| Density: | 1.097±0.06 g/cm3(Predicted) |
| Melting Point: | 89-92 °C |
| Boiling Point: | 334.475 °C at 760 mmHg |
| Flash Point: | 156.085 °C |
| PSA: | 28.26000 |
| LogP: | 2.28060 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Specification
The systematic name of this chemical is 2,6-Dimethyl-1,3-benzothiazol-5-amine. With the CAS registry number 3965-97-7, it is also named as 2,6-Dimethyl-5-benzothiazolamine. In addition, its molecular formula is C9H10N2S and molecular weight is 178.2541.
Physical properties about the 2,6-Dimethyl-5-benzothiazolamine are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.421; (4)ACD/LogD (pH 7.4): 1.427; (5)ACD/BCF (pH 5.5): 7.049; (6)ACD/BCF (pH 7.4): 7.151; (7)ACD/KOC (pH 5.5): 140.26; (8)ACD/KOC (pH 7.4): 142.283; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 67.15 Å2; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 54.457 cm3; (15)Molar Volume: 141.083 cm3; (16)Surface Tension: 58.116 dyne/cm; (17)Density: 1.263 g/cm3; (18)Flash Point: 156.085 °C; (19)Enthalpy of Vaporization: 57.744 kJ/mol; (20)Boiling Point: 334.475 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc2c(cc1N)nc(s2)C
(2) InChI: InChI=1/C9H10N2S/c1-5-3-9-8(4-7(5)10)11-6(2)12-9/h3-4H,10H2,1-2H3
(3) InChIKey: UNMHKVQRNMMFOY-UHFFFAOYAR