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| CAS No.: | 132328-45-1 |
|---|---|
| Name: | 4-Hydroxy-N,N-diisopropyltryptamine |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C16H24N2O |
| Molecular Weight: | 260.379 |
| Synonyms: | N,N-Diisopropyl-4-hydroxytryptamine; |
| Density: | 1.084 g/cm3 |
| Boiling Point: | 424.911 °C at 760 mmHg |
| Flash Point: | 210.779 °C |
| PSA: | 39.26000 |
| LogP: | 3.53480 |
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- Total:29 Page 1 of 1 1
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Specification
This chemical is called 4-Hydroxy-N,N-diisopropyltryptamine, and its systematic name is 3-[2-(dipropan-2-ylamino)ethyl]-1H-indol-4-ol. With the molecular formula of C16H24N2O, its molecular weight is 260.38. The CAS registry number of this chemical is 132328-45-1.
Other characteristics of the 4-Hydroxy-N,N-diisopropyltryptamine can be summarised as followings: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 39.26 Å2; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 81.395 cm3; (13)Molar Volume: 240.166 cm3; (14)Polarizability: 32.268×10-24cm3; (15)Surface Tension: 44.84 dyne/cm; (16)Density: 1.084 g/cm3; (17)Flash Point: 210.779 °C; (18)Enthalpy of Vaporization: 70.578 kJ/mol; (19)Boiling Point: 424.911 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC(C)N(CCc2cnc1cccc(O)c12)C(C)C
2.InChI: InChI=1/C16H24N2O/c1-11(2)18(12(3)4)9-8-13-10-17-14-6-5-7-15(19)16(13)14/h5-7,10-12,17,19H,8-9H2,1-4H3
3.InChIKey: KBRYKXCBGISXQV-UHFFFAOYAT