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| CAS No.: | 3784-30-3 |
|---|---|
| Name: | 5-(2-AMinopropyl)indole |
| Molecular Structure: | |
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| Formula: | C11H14N2 |
| Molecular Weight: | 174.246 |
| Synonyms: | 5-Aminopropylindole;Indole, 5-(2-aminopropyl)- (7CI,8CI); |
| Density: | 1.122 g/cm3 |
| Boiling Point: | 344.524 °C at 760 mmHg |
| Flash Point: | 188.989 °C |
| PSA: | 41.81000 |
| LogP: | 2.75790 |
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| Conditions | Yield |
|---|---|
| With (2R,3R,11R,12R)-(+)-18-crown-6-2,3,11,12-tetracarbonic acid In aq. buffer at 20℃; for 0.25h; pH=2.1; Resolution of racemate; enantioselective reaction; | |
| With Lux i-Amylose-1 column In hexane; diethylamine; isopropyl alcohol at 20℃; Resolution of racemate; |
| Conditions | Yield |
|---|---|
| With β‐cyclodextrin In aq. phosphate buffer at 25℃; pH=2.5; Reagent/catalyst; Resolution of racemate; |
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Specification
The 5-(2-Aminopropyl)indole, with the CAS registry number 3784-30-3, is also known as 5-Aminopropylindole. This chemical's molecular formula is C11H14N2 and molecular weight is 174.24. What's more, its systematic name is 1-(1H-indol-5-yl)propan-2-amine. This chemical is an indole derivative with stimulant effects. It has been sold as a research chemical by online vendors. Hence, it is a designer drug.
Physical properties of 5-(2-Aminopropyl)indole are: (1)ACD/LogP: 2.077; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1.00; (4)ACD/BCF (pH 7.4): 1.00; (5)ACD/KOC (pH 5.5): 1.00; (6)ACD/KOC (pH 7.4): 1.00; (7)#H bond acceptors: 2; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 41.81 Å2; (11)Index of Refraction: 1.644; (12)Molar Refractivity: 56.205 cm3; (13)Molar Volume: 155.25 cm3; (14)Polarizability: 22.281×10-24cm3; (15)Surface Tension: 50.329 dyne/cm; (16)Density: 1.122 g/cm3; (17)Flash Point: 188.989 °C; (18)Enthalpy of Vaporization: 58.85 kJ/mol; (19)Boiling Point: 344.524 °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(Cc1ccc2c(c1)cc[nH]2)N
(2)Std. InChI: InChI=1S/C11H14N2/c1-8(12)6-9-2-3-11-10(7-9)4-5-13-11/h2-5,7-8,13H,6,12H2,1H3
(3)Std. InChIKey: AULGMISRJWGTBA-UHFFFAOYSA-N